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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 13 results

Search term: C44H68O17 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32820795

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H68O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(32(49)26(47)17-54-41)60-40-36(53)37(31(48)20(3)56-40)59-39-35(52)34(51)33(50)28(15-45)57-39/h6,19-20,22-41,45-53H,1,7-17H2,2-5H3/t19-,20-,22+,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+/m0/s1
C44H68O17869.00055500
22912836

22 of 25 defined stereocentres - 22/25 defined
InChI=1/C44H68O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(13-29(47)43(21,5)24(23)9-10-42(25,30)4)57-41-38(32(49)26(46)17-54-41)60-40-36(53)37(31(48)20(3)56-40)59-39-35(52)34(51)33(50)28(15-45)58-39/h6,19-20,22-41,45-53H,1,7-17H2,2-5H3/t19-,20-,22-,23+,24?,25?,26+,27-,28+,29+,30-,31-,32?,33+,34-,35+,36+,37+,38-,39-,40-,41+,42-,43-,44+/m0/s1
C44H68O17869.00054100
35517083

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C44H68O17/c1-18(2)12-20(45)13-19(3)23-6-7-24-22-15-28-26-14-21(8-10-44(26,5)25(22)9-11-43(23,24)4)57-42-38(34(51)33(50)36(59-42)39(53)54)61-41-37(30(47)27(46)16-56-41)60-40-35(52)32(49)31(48)29(58-40)17-55-28/h15,18-19,21,23-38,40-42,46-52H,6-14,16-17H2,1-5H3,(H,53,54)/t19-,21+,23-,24+,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+,37-,38-,40+,41+,42-,43-,44-/m1/s1
C44H68O17869.00054400
58859633

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C44H68O17/c1-18(2)12-20(45)13-19(3)23-6-7-24-22-15-28-26-14-21(8-10-44(26,5)25(22)9-11-43(23,24)4)57-42-38(34(51)33(50)36(59-42)39(53)54)61-41-37(30(47)27(46)16-56-41)60-40-35(52)32(49)31(48)29(58-40)17-55-28/h15,18-19,21,23-38,40-42,46-52H,6-14,16-17H2,1-5H3,(H,53,54)/t19-,21+,23-,24+,25+,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,40+,41+,42-,43-,44-/m1/s1
C44H68O17869.00052200
23340121

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C44H68O17/c1-18(16-55-40-37(53)36(52)34(50)29(15-45)59-40)6-9-27-19(2)31-28(58-27)14-25-23-8-7-21-12-22(46)13-30(44(21,5)24(23)10-11-43(25,31)4)60-42-39(33(49)26(47)17-56-42)61-41-38(54)35(51)32(48)20(3)57-41/h7,20,22-26,28-42,45-54H,1,6,8-17H2,2-5H3/t20-,22+,23+,24-,25-,26-,28-,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43-,44-/m0/s1
C44H68O17869.00052200
8305200

5 of 25 defined stereocentres - 5/25 defined
InChI=1/C44H68O17/c1-18-8-11-44(55-16-18)19(2)30-27(61-44)14-25-23-7-6-21-12-22(46)13-29(43(21,5)24(23)9-10-42(25,30)4)58-41-38(32(49)26(47)17-54-41)60-40-36(53)37(31(48)20(3)56-40)59-39-35(52)34(51)33(50)28(15-45)57-39/h6,19-20,22-41,45-53H,1,7-17H2,2-5H3/t19-,20?,22+,23?,24?,25?,26?,27?,28?,29+,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42-,43-,44?/m0/s1
C44H68O17869.00052100
8804822

21 of 23 defined stereocentres - 21/23 defined
InChI=1/C44H68O17/c1-18(16-55-40-37(53)36(52)34(50)29(15-45)59-40)6-9-27-19(2)31-28(58-27)14-25-23-8-7-21-12-22(46)13-30(44(21,5)24(23)10-11-43(25,31)4)60-42-39(33(49)26(47)17-56-42)61-41-38(54)35(51)32(48)20(3)57-41/h7,20,22-26,28-42,45-54H,1,6,8-17H2,2-5H3/t20-,22+,23+,24-,25-,26-,28?,29+,30+,31?,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43-,44-/m0/s1
C44H68O17869.00052100
35517081

25 of 25 defined stereocentres - 25/25 defined
InChI=1/C44H68O17/c1-17(2)12-27-35(57-27)18(3)21-6-7-22-20-14-26-24-13-19(8-10-44(24,5)23(20)9-11-43(21,22)4)56-42-38(33(50)32(49)36(59-42)39(52)53)61-41-37(29(46)25(45)15-55-41)60-40-34(51)31(48)30(47)28(58-40)16-54-26/h14,17-19,21-38,40-42,45-51H,6-13,15-16H2,1-5H3,(H,52,53)/t18-,19-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,35-,36-,37+,38+,40-,41-,42+,43+,44+/m0/s1
C44H68O17869.00052200
552577

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C44H68O17/c1-20-39(60-34-16-29(53-6)40(21(2)56-34)61-41-38(51)37(50)36(49)31(18-45)59-41)28(47)15-33(55-20)58-25-9-11-42(4)24(14-25)7-8-27-26(42)10-12-43(5)35(23-13-32(48)54-19-23)30(57-22(3)46)17-44(27,43)52/h13,20-21,24-31,33-41,45,47,49-52H,7-12,14-19H2,1-6H3/t20-,21-,24-,25+,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37+,38-,39-,40-,41+,42+,43-,44+/m1/s1
C44H68O17869.00051100
24534544

20 of 22 defined stereocentres - 20/22 defined
InChI=1/C44H68O17/c1-20-39(60-34-16-29(53-6)40(21(2)56-34)61-41-38(51)37(50)36(49)31(18-45)59-41)28(47)15-33(55-20)58-25-9-11-42(4)24(14-25)7-8-27-26(42)10-12-43(5)35(23-13-32(48)54-19-23)30(57-22(3)46)17-44(27,43)52/h13,20-21,24-31,33-41,45,47,49-52H,7-12,14-19H2,1-6H3/t20-,21-,24-,25+,26?,27?,28+,29+,30+,31-,33+,34+,35+,36-,37+,38-,39-,40-,41+,42+,43-,44+/m1/s1
C44H68O17869.00051100
71044167

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C44H68O17/c1-39(2)11-13-44(38(56)61-37-32(54)31(53)30(52)25(18-45)58-37)14-12-42(5)21(22(44)16-39)7-8-27-40(3)17-23(47)35(41(4,20-46)26(40)9-10-43(27,42)6)60-36-33(55)34(24(48)19-57-36)59-29(51)15-28(49)50/h7,22-27,30-37,45-48,52-55H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26?,27?,30+,31-,32+,33+,34-,35-,36-,37-,40-,41-,42+,43+,44-/m0/s1
C44H68O17869.00051200
113385356

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C44H68O17/c1-21-32(49)34(51)36(53)38(56-21)59-37-35(52)33(50)29(19-45)58-39(37)57-23-8-10-42(4)22(14-23)6-7-24-25(42)9-11-43(5)26(24)15-28-27(43)16-44(60-28)13-12-41(3,61-44)20-55-31(48)18-40(2,54)17-30(46)47/h6,21,23-29,32-39,45,49-54H,7-20H2,1-5H3,(H,46,47)/t21-,23-,24+,25-,26-,27-,28-,29+,32-,33+,34+,35-,36+,37+,38-,39+,40-,41-,42-,43-,44-/m0/s1
C44H68O17869.00051100

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