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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
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Isotopically Labeled
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Found 49 results

Search term: C33H40O15 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4477421

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1
C33H40O15676.661710110100
20130279

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-23(38)31(29(46-30(17)21)15-6-8-16(43-4)9-7-15)48-32-27(42)25(40)28(14(3)44-32)47-33-26(41)24(39)22(37)20(12-34)45-33/h5-9,11,14,20,22,24-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+,28-,32-,33-/m0/s1
C33H40O15676.6617252300
10227313

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)30(28(46-29(17)21)15-6-8-16(43-4)9-7-15)47-33-31(26(41)22(37)14(3)44-33)48-32-27(42)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,31-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25-,26+,27+,31+,32-,33-/m0/s1
C33H40O15676.6617181700
23089591

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32?,33?/m0/s1
C33H40O15676.661717101986
4581368

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3
C33H40O15676.6617101200
82827042

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)31(28(46-29(17)21)15-6-8-16(43-4)9-7-15)48-33-27(42)30(22(37)14(3)44-33)47-32-26(41)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,30,32-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25-,26+,27+,30+,32-,33-/m0/s1
C33H40O15676.66179800
58171796

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)30(28(46-29(17)21)15-6-8-16(43-4)9-7-15)47-33-31(26(41)23(38)20(12-34)45-33)48-32-27(42)25(40)22(37)14(3)44-32/h5-9,11,14,20,22-23,25-27,31-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27-,31-,32+,33+/m1/s1
C33H40O15676.66175300
7778844

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20-,22-,23-,25+,26+,27+,28-,32-,33-/m0/s1
C33H40O15676.66175200
4590983

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-23(38)31(29(46-30(17)21)15-6-8-16(43-4)9-7-15)48-32-27(42)25(40)28(14(3)44-32)47-33-26(41)24(39)22(37)20(12-34)45-33/h5-9,11,14,20,22,24-28,32-37,39-42H,10,12H2,1-4H3/t14-,20-,22-,24-,25+,26-,27-,28+,32+,33+/m1/s1
C33H40O15676.66174400
30771341

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H40O15/c1-16-6-20-10-22(34)12-25(36)30(20)32(41)48-19(4)9-28(39)45-17(2)7-21-11-24(43-5)14-26(37)31(21)33(42)47-18(3)8-27(38)44-15-23(35)13-29(40)46-16/h10-12,14,16-19,23,34-37H,6-9,13,15H2,1-5H3/t16-,17-,18-,19-,23+/m1/s1
C33H40O15676.66174500
30771340

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H40O15/c1-16-6-20-10-22(35)12-25(36)30(20)32(41)46-18(3)8-27(38)44-17(2)7-21-11-23(43-5)13-26(37)31(21)33(42)47-19(4)9-28(39)48-24(15-34)14-29(40)45-16/h10-13,16-19,24,34-37H,6-9,14-15H2,1-5H3/t16-,17-,18-,19-,24+/m1/s1
C33H40O15676.66173300
68896298

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m1/s1
C33H40O15676.66173200
68897332

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)30(28(46-29(17)21)15-6-8-16(43-4)9-7-15)47-33-31(26(41)22(37)14(3)44-33)48-32-27(42)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,31-38,40-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25-,26+,27+,31+,32-,33-/m1/s1
C33H40O15676.66173100
82827332

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-23(38)31(29(46-30(17)21)15-6-8-16(43-4)9-7-15)48-32-27(42)25(40)28(14(3)44-32)47-33-26(41)24(39)22(37)20(12-34)45-33/h5-9,11,14,20,22,24-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+,28-,32-,33-/m1/s1
C33H40O15676.66172200
58131965

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27-,28-,32?,33?/m0/s1
C33H40O15676.66172200
10142186

10 of 16 defined stereocentres - 10/16 defined
InChI=1/C33H40O15/c1-13-15-9-18-32-12-44-33(30(42)43-3,26(32)24(28(41)48-18)45-14-7-5-4-6-8-14)27(40)23(39)25(32)31(15,2)10-16(19(13)35)46-29-22(38)21(37)20(36)17(11-34)47-29/h4-8,10,13,15,17-18,20-27,29,34,36-40H,9,11-12H2,1-3H3/t13?,15?,17-,18?,20-,21-,22-,23-,24-,25?,26-,27?,29-,31+,32?,33+/m1/s1
C33H40O15676.66172200
10142497

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20-,22-,23-,25-,26+,27-,28-,32+,33-/m1/s1
C33H40O15676.66172200
24755843

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23?,25+,26-,27+,28?,32?,33+/m0/s1
C33H40O15676.66172100
27024649

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H40O15/c1-14(34)45-19-11-32(41)30(6)23(22(27(39)43-7)46-15(2)35)28(4)13-31(30,40)21(26(28)47-16(3)36)24(38)33(32,42)18-10-20(37)48-25(29(18,19)5)17-8-9-44-12-17/h8-10,12,19,21-26,38,40-42H,11,13H2,1-7H3/t19-,21-,22+,23-,24-,25-,26+,28-,29-,30+,31-,32-,33+/m0/s1
C33H40O15676.66172200
28534006

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20-,22-,23-,25+,26+,27+,28-,32-,33-/m1/s1
C33H40O15676.66172200
123

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