CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@@H]32)C1

Nombre: 3β-acetoxy-5-cholenic acid

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

SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@@H]32)C1

Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Fórmula molecular: C26H40O4

Masa molecular: 416.60

InChIKey: JBALICPRCDQXRA-WBNKZLQISA-N

InChI:

InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1

PubChem CID: 11101791 →

Sinónimos

3?-Acetoxychol-5-enoic Acid3beta-Acetoxy-5-cholenic acid3beta-Acetoxychol-5-enic acidSCHEMBL47474833.beta.-Acetoxy-5-cholenic acid3-(Acetyloxy)chol-5-en-24-oic acid #

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