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Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 16 results

Search term: MF = 'C_{54}H_{76}N_{2}O_{9}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8526201

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-27-45-41(64-52(27)15-13-46(3,59)25-62-52)19-35-31-11-9-29-17-37-39(23-48(29,5)33(31)20-42(57)50(35,45)7)55-38-18-30-10-12-32-34(49(30,6)24-40(38)56-37)21-43(58)51(8)36(32)22-44-54(51,61)28(2)53(65-44)16-14-47(4,60)26-63-53/h19,22,27-34,41-45,57-61H,9-18,20-21,23-26H2,1-8H3/t27-,28+,29-,30-,31+,32+,33-,34-,41-,42+,43+,44-,45-,46-,47-,48-,49-,50+,51+,52-,53+,54+/m0/s1
C54H76N2O9897.18926500
8685348

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H76N2O9/c1-27-43-40(63-53(27)17-15-46(5,59)26-62-53)25-52(61)32-13-11-30-19-36-38(23-48(30,7)34(32)20-41(57)49(43,52)8)56-35-18-29-10-12-31-33(47(29,6)22-37(35)55-36)21-42(58)51(31)24-39-44(50(51,9)60)28(2)54(64-39)16-14-45(3,4)65-54/h27-34,39-40,43-44,59-61H,10-26H2,1-9H3/t27-,28-,29-,30-,31+,32+,33-,34-,39-,40-,43-,44-,46-,47-,48-,49+,50-,51-,52+,53+,54+/m0/s1
C54H76N2O9897.18925401
8947347

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H76N2O9/c1-27-43-39(63-53(27)17-15-46(5,59)26-62-53)24-51(49(43,8)60)31-12-10-29-18-35-37(22-47(29,6)33(31)20-41(51)57)55-36-19-30-11-13-32-34(48(30,7)23-38(36)56-35)21-42(58)52(32)25-40-44(50(52,9)61)28(2)54(64-40)16-14-45(3,4)65-54/h27-34,39-40,43-44,59-61H,10-26H2,1-9H3/t27-,28-,29-,30-,31+,32+,33-,34-,39-,40-,43-,44-,46-,47-,48-,49-,50-,51-,52-,53+,54+/m0/s1
C54H76N2O9897.18925400
8899733

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,32-,33-,40-,41+,42+,43+,44-,45-,47-,48-,49-,50+,51+,52-,53+,54-/m0/s1
C54H76N2O9897.18924300
8526202

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(63-52(26)14-12-46(3,4)65-52)19-32-30-11-10-28-16-35-37(23-48(28,6)31(30)20-41(58)50(32,45)8)56-36-17-29-18-39(57)44-33(49(29,7)24-38(36)55-35)21-42(59)51(9)34(44)22-43-54(51,61)27(2)53(64-43)15-13-47(5,60)25-62-53/h22,26-33,39-40,42-45,57,59-61H,10-21,23-25H2,1-9H3/t26-,27+,28-,29+,30+,31-,32+,33-,39-,40-,42+,43-,44+,45-,47-,48-,49-,50+,51+,52+,53+,54+/m0/s1
C54H76N2O9897.18924300
8254960

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-27-45-41(64-52(27)15-13-46(3,59)25-62-52)19-35-31-11-9-29-17-37-39(23-48(29,5)33(31)20-42(57)50(35,45)7)55-38-18-30-10-12-32-34(49(30,6)24-40(38)56-37)21-43(58)51(8)36(32)22-44-54(51,61)28(2)53(65-44)16-14-47(4,60)26-63-53/h19,22,27-34,41-45,57-61H,9-18,20-21,23-26H2,1-8H3/t27-,28+,29-,30-,31+,32+,33-,34-,41-,42+,43+,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+/m0/s1
C54H76N2O9897.18924300
8254961

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(63-52(26)14-12-46(3,4)65-52)19-32-30-11-10-28-16-35-37(23-48(28,6)31(30)20-41(58)50(32,45)8)56-36-17-29-18-39(57)44-33(49(29,7)24-38(36)55-35)21-42(59)51(9)34(44)22-43-54(51,61)27(2)53(64-43)15-13-47(5,60)25-62-53/h19,22,26-31,33,39-45,57-61H,10-18,20-21,23-25H2,1-9H3/t26-,27+,28-,29+,30+,31-,33-,39-,40-,41+,42+,43-,44+,45-,47-,48-,49-,50+,51+,52-,53+,54+/m0/s1
C54H76N2O9897.18924300
3783984

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C54H76N2O9/c1-4-6-7-8-9-10-11-12-13-24-51(60)56(29-34-62-35-32-59)50-39-48(55-61-3)46-37-42(22-16-18-30-57)45(23-17-19-31-58)52-47-38-44(64-43-26-25-40-20-14-15-21-41(40)36-43)27-28-49(47)65-54(50,53(46)52)63-33-5-2/h5,14-15,20-21,25-28,36-38,42,45,50,52-53,57-59H,2,4,6-13,16-19,22-24,29-35,39H2,1,3H3
C54H76N2O9897.1892399999982100
5068239

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C54H76N2O9/c1-4-6-7-8-9-10-11-12-13-24-51(60)56(29-34-62-35-32-59)50-39-48(55-61-3)46-37-42(22-16-18-30-57)45(23-17-19-31-58)52-47-38-44(64-43-26-25-40-20-14-15-21-41(40)36-43)27-28-49(47)65-54(50,53(46)52)63-33-5-2/h5,14-15,20-21,25-28,36-38,42,45,50,52-53,57-59H,2,4,6-13,16-19,22-24,29-35,39H2,1,3H3/t42-,45+,50-,52+,53+,54+/m0/s1
C54H76N2O9897.18922100
8209254

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,32-,33-,40?,41+,42+,43+,44-,45-,47-,48-,49-,50+,51+,52?,53+,54-/m0/s1
C54H76N2O9897.18922100
9541426

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-27-45-41(64-52(27)15-13-46(3,59)25-62-52)19-35-31-11-9-29-17-37-39(23-48(29,5)33(31)20-42(57)50(35,45)7)55-38-18-30-10-12-32-34(49(30,6)24-40(38)56-37)21-43(58)51(8)36(32)22-44-54(51,61)28(2)53(65-44)16-14-47(4,60)26-63-53/h19,22,27-34,41-45,57-61H,9-18,20-21,23-26H2,1-8H3/t27-,28+,29-,30-,31+,32+,33-,34-,41-,42-,43+,44-,45-,46-,47+,48-,49-,50+,51+,52+,53+,54+/m0/s1
C54H76N2O9897.18922100
23314527

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C54H76N2O9/c1-27-43-40(63-53(27)17-15-46(5,59)26-62-53)25-52(61)32-13-11-30-19-36-38(23-48(30,7)34(32)20-41(57)49(43,52)8)56-35-18-29-10-12-31-33(47(29,6)22-37(35)55-36)21-42(58)51(31)24-39-44(50(51,9)60)28(2)54(64-39)16-14-45(3,4)65-54/h27-34,39-40,43-44,59-61H,10-26H2,1-9H3/t27-,28-,29-,30-,31+,32+,33-,34+,39-,40-,43-,44-,46-,47-,48-,49+,50-,51-,52-,53+,54+/m0/s1
C54H76N2O9897.18922200
23314686

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-27-45-41(64-52(27)15-13-46(3,59)25-62-52)19-35-31-11-9-29-17-37-39(23-48(29,5)33(31)20-42(57)50(35,45)7)55-38-18-30-10-12-32-34(49(30,6)24-40(38)56-37)21-43(58)51(8)36(32)22-44-54(51,61)28(2)53(65-44)16-14-47(4,60)26-63-53/h19,22,27-34,41-45,57-61H,9-18,20-21,23-26H2,1-8H3/t27-,28+,29-,30-,31+,32+,33-,34-,41-,42+,43+,44-,45-,46+,47-,48-,49-,50+,51+,52+,53+,54+/m0/s1
C54H76N2O9897.18922200
29213198

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-27-45-41(64-52(27)15-13-46(3,59)25-62-52)19-35-31-11-9-29-17-37-39(23-48(29,5)33(31)20-42(57)50(35,45)7)55-38-18-30-10-12-32-34(49(30,6)24-40(38)56-37)21-43(58)51(8)36(32)22-44-54(51,61)28(2)53(65-44)16-14-47(4,60)26-63-53/h19,22,27-34,41-45,57-61H,9-18,20-21,23-26H2,1-8H3/t27-,28+,29-,30-,31+,32+,33-,34-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54+/m0/s1
C54H76N2O9897.18922200
58859333

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28-,29-,30+,31+,32-,33-,40-,41+,42+,43+,44-,45-,47+,48-,49-,50+,51+,52-,53+,54-/m0/s1
C54H76N2O9897.18922200
23176256

10 of 22 defined stereocentres - 10/22 defined
InChI=1/C54H76N2O9/c1-26-45-40(62-52(26)15-14-46(3,4)64-52)18-34-30-12-10-28-16-36-38(22-48(28,6)32(30)19-41(58)50(34,45)8)55-37-17-29-11-13-31-33(49(29,7)23-39(37)56-36)20-42(59)51(9)35(31)21-44-53(51,61)27(2)54(63-44)43(60)24-47(5,25-57)65-54/h18,21,26-33,40-45,57-61H,10-17,19-20,22-25H2,1-9H3/t26-,27-,28?,29?,30?,31?,32?,33?,40?,41+,42+,43+,44?,45?,47-,48-,49-,50+,51+,52?,53?,54?/m0/s1
C54H76N2O9897.18921100

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