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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 115 results

Search term: C41H64O13 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389987

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O13764.9391921083247768243
153797

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
C41H64O13764.9391434100
28537372

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
C41H64O13764.9391292100
142988

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)27(44)30(31(54-34)32(47)48)53-33-28(45)26(43)22(19-42)51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
C41H64O13764.9391171400
30773351

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19-,20+,21-,24+,25+,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+/m0/s1
C41H64O13764.9391151300
2953

0 of 20 defined stereocentres - 0/20 defined
InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3
C41H64O13764.9391151900
4642424

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27?,28?,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O13764.9391111000
35293697

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41-/m1/s1
C41H64O13764.93919700
64919838

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,33+,34+,38-,39+,40+,41-/m0/s1
C41H64O13764.93917600
8615572

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23?,24?,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
C41H64O13764.93917600
6045

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26+,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O13764.93916600
154463

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h22-31,33-34,42-46H,8-19H2,1-7H3,(H,47,48)(H,49,50)/t22-,23+,24-,25+,26+,27-,28+,29-,30+,31+,33+,34-,38+,39-,40-,41+/m1/s1
C41H64O13764.93915400
26383083

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22-,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
C41H64O13764.93915400
17463149

14 of 20 defined stereocentres - 14/20 defined
InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20?,21?,22?,24-,25+,26-,27+,28-,29?,30?,31?,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
C41H64O13764.93915100
22938266

2 of 20 defined stereocentres - 2/20 defined
InChI=1/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20?,21?,22?,24?,25?,26?,27-,28+,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41?/m0/s1
C41H64O13764.93914200
90615865

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C41H64O13/c1-19-26(44)28(46)29(47)32(51-19)53-30-27(45)21(43)18-50-33(30)52-24-10-11-36(4)22(35(24,2)3)9-12-37(5)23(36)17-20(42)25-31-40(8,49)39(7)14-16-41(31,34(48)54-39)15-13-38(25,37)6/h19-24,26-30,32-33,42-47,49H,9-18H2,1-8H3/t19-,20-,21-,22?,23?,24-,26-,27-,28+,29+,30+,32-,33-,36-,37+,38+,39-,40-,41+/m0/s1
C41H64O13764.93914200
9269056

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C41H64O13/c1-19-9-14-41(49-17-19)20(2)30-28(54-41)16-27-25-8-7-23-15-24(10-12-39(23,5)26(25)11-13-40(27,30)6)51-38-36(34(46)32(44)29(52-38)18-48-22(4)42)53-37-35(47)33(45)31(43)21(3)50-37/h7,19-21,24-38,43-47H,8-18H2,1-6H3/t19-,20+,21+,24+,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39+,40+,41-/m1/s1
C41H64O13764.93914300
10259160

Double-bond stereo

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C41H64O13/c1-9-20(2)34(51)54-32-31(48)41(19-43)22(16-36(32,3)4)21-10-11-24-37(5)14-13-26(52-35-29(47)27(45)28(46)30(53-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)44/h9-10,22-32,35,42-48H,11-19H2,1-8H3,(H,49,50)/b20-9+/t22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1
C41H64O13764.93914400
17267154

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C41H64O13/c1-20(2)25(43)10-8-21(3)22-13-17-41(37(49)50)24-9-11-28-38(4,5)29(14-15-39(28,6)23(24)12-16-40(22,41)7)53-36-34(30(45)26(44)19-51-36)54-35-33(48)32(47)31(46)27(18-42)52-35/h21-22,26-36,42,44-48H,1,8-19H2,2-7H3,(H,49,50)/t21-,22-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,39-,40-,41+/m1/s1
C41H64O13764.93914400
17344273

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-27,29-35,42-49H,8-19H2,1-6H3/t20-,23-,24-,25-,26-,27+,29+,30-,31+,32-,33-,34+,35+,37+,38+,39-,40-,41+/m1/s1
C41H64O13764.93913300
12345

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