C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(OC=O)CC4CC(OC=O)CC[C@]4(C)[C@H]3CC(OC=O)[C@]12C

Nombre: 3,7,12-triformyloxycholanoic acid

IUPAC: (4R)-4-[(8R,9S,10S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(OC=O)CC4CC(OC=O)CC[C@]4(C)[C@H]3CC(OC=O)[C@]12C

Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC=O)C)OC=O)OC=O)C

Fórmula molecular: C27H40O8

Masa molecular: 492.60

InChIKey: OHJFKWAMNYLNEV-ZXFKLLNLSA-N

InChI:

InChI=1S/C27H40O8/c1-16(4-7-24(31)32)19-5-6-20-25-21(12-23(35-15-30)27(19,20)3)26(2)9-8-18(33-13-28)10-17(26)11-22(25)34-14-29/h13-23,25H,4-12H2,1-3H3,(H,31,32)/t16-,17?,18?,19-,20+,21+,22?,23?,25+,26+,27-/m1/s1

PubChem CID: 86628349 →

Sinónimos

SCHEMBL2771343OHJFKWAMNYLNEV-ZXFKLLNLSA-N3,7,12-triformyloxycholanoic acid

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