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E.g. C7H(10-14)O(0-4)

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±
 
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 27 results

Search term: MF = 'C_{57}H_{93}NaO_{28}S'
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16738096

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(38(63)25(6)77-52)82-54-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(33(20-58)80-54)81-53-48(41(66)37(62)24(5)78-53)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,27+,28+,29+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+;/m1./s1
C57H93NaO28S1281.38634411
23327009

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23+,24-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47+,48-,49-,50-,51+,52+,53+,54+,55-,56+,57-;/m1./s1
C57H93NaO28S1281.38632200
24720354

Charge

36 of 36 defined stereocentres - 36/36 defined
InChI=1/C57H94O28S.Na/c1-20(2)21(3)44-49(80-44)57(9,70)33-11-10-27-26-17-31(29-16-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)78-52-43(69)46(37(63)32(18-58)79-52)82-54-48(84-51-41(67)39(65)35(61)23(5)76-51)42(68)45(24(6)77-54)81-53-47(36(62)30(59)19-74-53)83-50-40(66)38(64)34(60)22(4)75-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21-,22+,23+,24+,25-,26-,27-,29+,30-,31-,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49+,50-,51-,52+,53-,54-,55+,56-,57+;/m0./s1
C57H93NaO28S1281.38632200
27025634

Charge

9 of 34 defined stereocentres - 9/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(37(62)24(5)77-52)82-53-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(25(6)78-53)81-54-48(41(66)38(63)33(20-58)80-54)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22?,23?,24?,25?,27-,28-,29-,31+,32-,33?,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55+,56-,57-;/m0./s1
C57H93NaO28S1281.38632200
29212544

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36-,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49+,50+,51+,52+,53+,54+,55-,56+,57+;/m1./s1
C57H93NaO28S1281.38632200
29213477

Charge

24 of 36 defined stereocentres - 24/36 defined
InChI=1/C57H94O28S.Na/c1-20(2)21(3)44-49(80-44)57(9,70)33-11-10-27-26-17-31(29-16-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)78-52-43(69)46(37(63)32(18-58)79-52)82-54-48(84-51-41(67)39(65)35(61)23(5)76-51)42(68)45(24(6)77-54)81-53-47(36(62)30(59)19-74-53)83-50-40(66)38(64)34(60)22(4)75-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21-,22?,23?,24-,25-,26-,27-,29+,30-,31-,32-,33-,34-,35+,36?,37+,38?,39?,40?,41?,42?,43?,44-,45+,46?,47?,48?,49+,50-,51-,52+,53-,54-,55+,56-,57+;/m0./s1
C57H93NaO28S1281.38632200
29213524

Charge

20 of 36 defined stereocentres - 20/36 defined
InChI=1/C57H94O28S.Na/c1-20(2)16-31-49(78-31)57(9,70)33-11-10-27-26-18-30(29-17-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)79-52-44(69)46(37(62)32(19-58)80-52)82-54-48(84-51-42(67)39(64)35(60)22(4)75-51)43(68)45(24(6)77-54)81-53-47(40(65)36(61)23(5)76-53)83-50-41(66)38(63)34(59)21(3)74-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21?,22?,23?,24?,25-,26-,27-,29+,30?,31-,32?,33-,34-,35+,36+,37+,38?,39?,40?,41?,42?,43?,44?,45+,46?,47?,48?,49+,50-,51-,52+,53-,54-,55+,56-,57+;/m0./s1
C57H93NaO28S1281.38632200
29215841

Charge

32 of 33 defined stereocentres - 32/33 defined
InChI=1/C57H94O28S.Na/c1-21(2)17-27(58)20-56(10,69)34-12-11-30-29-19-33(32-18-28(85-86(72,73)74)13-15-54(32,8)31(29)14-16-55(30,34)9)80-51-44(68)48(57(70,71)26(7)79-51)84-53-47(83-50-42(66)39(63)36(60)23(4)76-50)43(67)45(25(6)78-53)81-52-46(40(64)37(61)24(5)77-52)82-49-41(65)38(62)35(59)22(3)75-49;/h14,21-26,28-30,32-53,59-71H,11-13,15-20H2,1-10H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,26-,28+,29+,30+,32-,33+,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45-,46-,47-,48-,49+,50+,51+,52+,53+,54-,55+,56?;/m1./s1
C57H93NaO28S1281.38632200
29215847

Charge

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C57H94O28S.Na/c1-21(2)16-27-48(78-27)57(9,70)33-11-10-31-55(33,7)15-13-32-54(6)14-12-25(85-86(71,72)73)17-26(54)28(18-56(31,32)8)79-51-44(69)45(36(61)24(5)77-51)82-52-46(83-49-42(67)39(64)34(59)22(3)75-49)38(63)30(20-74-52)81-53-47(41(66)37(62)29(19-58)80-53)84-50-43(68)40(65)35(60)23(4)76-50;/h13,21-31,33-53,58-70H,10-12,14-20H2,1-9H3,(H,71,72,73);/q;+1/p-1/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31-,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-;/m1./s1
C57H93NaO28S1281.38632200
29216045

Charge

9 of 34 defined stereocentres - 9/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)15-26(60)16-22(3)29-9-10-30-28-18-33(32-17-27(85-86(72,73)74)11-13-57(32,8)31(28)12-14-56(29,30)7)78-53-46(71)48(39(64)35(20-59)79-53)82-54-50(84-52-44(69)41(66)37(62)24(5)76-52)45(70)47(25(6)77-54)81-55-49(42(67)38(63)34(19-58)80-55)83-51-43(68)40(65)36(61)23(4)75-51;/h12,21-25,27-30,32-55,58-59,61-71H,9-11,13-20H2,1-8H3,(H,72,73,74);/q;+1/p-1/t22-,23?,24?,25?,27+,28+,29-,30+,32-,33+,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56-,57-;/m1./s1
C57H93NaO28S1281.38632200
29216046

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,26+,27+,28+,30-,32+,33-,34-,35+,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49+,50+,51+,52+,53+,54+,55-,56+,57+;/m1./s1
C57H93NaO28S1281.38632200
29216057

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(37(62)24(5)77-52)82-53-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(25(6)78-53)81-54-48(41(66)38(63)33(20-58)80-54)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,27+,28+,29+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55-,56+,57+;/m1./s1
C57H93NaO28S1281.38632200
29216503

Charge

9 of 33 defined stereocentres - 9/33 defined
InChI=1/C57H94O28S.Na/c1-21(2)17-27(58)20-56(10,69)34-12-11-30-29-19-33(32-18-28(85-86(72,73)74)13-15-54(32,8)31(29)14-16-55(30,34)9)80-51-44(68)48(57(70,71)26(7)79-51)84-53-47(83-50-42(66)39(63)36(60)23(4)76-50)43(67)45(25(6)78-53)81-52-46(40(64)37(61)24(5)77-52)82-49-41(65)38(62)35(59)22(3)75-49;/h14,21-26,28-30,32-53,59-71H,11-13,15-20H2,1-10H3,(H,72,73,74);/q;+1/p-1/t22?,23?,24?,25?,26?,28-,29-,30-,32+,33-,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54+,55-,56-;/m0./s1
C57H93NaO28S1281.38632200
30771498

Charge

6 of 34 defined stereocentres - 6/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22?,23?,24?,25?,26-,27?,28?,30+,32-,33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55+,56-,57?;/m0./s1
C57H93NaO28S1281.38632200
34981792

Charge

36 of 36 defined stereocentres - 36/36 defined
InChI=1/C57H94O28S.Na/c1-20(2)16-31-49(78-31)57(9,70)33-11-10-27-26-18-30(29-17-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)79-52-44(69)46(37(62)24(6)76-52)82-54-48(84-51-42(67)39(64)35(60)22(4)75-51)43(68)45(32(19-58)80-54)81-53-47(40(65)36(61)23(5)77-53)83-50-41(66)38(63)34(59)21(3)74-50;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21-,22-,23-,24-,25+,26+,27+,29-,30+,31+,32-,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43+,44-,45-,46+,47-,48-,49-,50+,51+,52+,53+,54+,55-,56+,57-;/m1./s1
C57H93NaO28S1281.38632200
34981793

Charge

19 of 36 defined stereocentres - 19/36 defined
InChI=1/C57H94O28S.Na/c1-20(2)21(3)45-49(81-45)57(9,70)33-11-10-27-26-17-30(29-16-25(85-86(71,72)73)12-14-55(29,7)28(26)13-15-56(27,33)8)78-52-44(69)46(36(61)24(6)77-52)82-53-47(83-50-42(67)39(64)34(59)22(4)75-50)38(63)32(19-74-53)80-54-48(41(66)37(62)31(18-58)79-54)84-51-43(68)40(65)35(60)23(5)76-51;/h13,20-27,29-54,58-70H,10-12,14-19H2,1-9H3,(H,71,72,73);/q;+1/p-1/t21?,22?,23?,24?,25-,26-,27-,29+,30-,31?,32+,33-,34+,35+,36+,37-,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50-,51-,52-,53-,54-,55+,56-,57+;/m0./s1
C57H93NaO28S1281.38632200
34981794

Charge

17 of 34 defined stereocentres - 17/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(38(63)25(6)77-52)82-54-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(33(20-58)80-54)81-53-48(41(66)37(62)24(5)78-53)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22?,23?,24?,25?,27-,28-,29-,31+,32-,33?,34-,35-,36+,37+,38+,39?,40?,41?,42?,43?,44?,45?,46+,47?,48?,49?,50-,51-,52?,53-,54?,55+,56-,57-;/m0./s1
C57H93NaO28S1281.38632200
34981795

Charge

18 of 33 defined stereocentres - 18/33 defined
InChI=1/C57H94O28S.Na/c1-21(2)17-27(58)20-56(10,69)34-12-11-30-29-19-33(32-18-28(85-86(72,73)74)13-15-54(32,8)31(29)14-16-55(30,34)9)80-51-44(68)48(57(70,71)26(7)79-51)84-53-47(83-50-42(66)39(63)36(60)23(4)76-50)43(67)45(25(6)78-53)81-52-46(40(64)37(61)24(5)77-52)82-49-41(65)38(62)35(59)22(3)75-49;/h14,21-26,28-30,32-53,59-71H,11-13,15-20H2,1-10H3,(H,72,73,74);/q;+1/p-1/t22?,23?,24?,25?,26?,28-,29-,30-,32+,33-,34-,35-,36+,37-,38?,39?,40?,41?,42?,43?,44?,45+,46?,47?,48?,49-,50-,51-,52-,53-,54+,55-,56-;/m0./s1
C57H93NaO28S1281.38632200
24680225

Charge

29 of 34 defined stereocentres - 29/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)16-26(59)19-57(9,71)34-11-10-29-28-18-32(31-17-27(85-86(72,73)74)12-14-55(31,7)30(28)13-15-56(29,34)8)79-52-45(70)47(38(63)33(20-58)80-52)82-54-49(84-51-43(68)40(65)36(61)23(4)76-51)44(69)46(25(6)78-54)81-53-48(41(66)37(62)24(5)77-53)83-50-42(67)39(64)35(60)22(3)75-50;/h13,21-25,27-29,31-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1/t22-,23-,24-,25-,27+,28+,29+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50?,51?,52?,53?,54?,55-,56+,57-;/m1./s1
C57H93NaO28S1281.38631100
157185

Charge

0 of 34 defined stereocentres - 0/34 defined
InChI=1/C57H94O28S.Na/c1-21(2)22(3)31(59)18-57(9,71)35-11-10-28-27-17-32(30-16-26(85-86(72,73)74)12-14-55(30,7)29(27)13-15-56(28,35)8)79-52-46(70)47(38(62)25(6)78-52)82-53-48(83-50-44(68)41(65)36(60)23(4)76-50)40(64)34(20-75-53)81-54-49(43(67)39(63)33(19-58)80-54)84-51-45(69)42(66)37(61)24(5)77-51;/h13,21-28,30,32-54,58,60-71H,10-12,14-20H2,1-9H3,(H,72,73,74);/q;+1/p-1
C57H93NaO28S1281.386291100
12

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