apocholic acid

Also known as 3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic acid, (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid, (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

chemical compound

In the Vinony graph

Vinony's link graph records 2 inbound references to apocholic acid, and connects out to salt, digital object identifier and chemical formula.

Vinony files it under Bile acids, Chemical articles with multiple CAS registry numbers and Chemical articles with multiple compound IDs.

Vinony links it to 4 Wikipedia language editions.

Chemical data

Formula: C24H38O4
Molecular weight: 390.6 g/mol
IUPAC name: (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O
InChIKey: XWJTYEGVQBFZHI-IMPNNSMHSA-N
XLogP: 3.5
Polar surface area: 77.8 Å²
H-bond donors: 3
H-bond acceptors: 4
Formal charge: 0

via PubChem

Wikidata facts

Subclass of: sterol
Mass: 390.277

Show 4 more facts

chemical formula: C₂₄H₃₈O₄
canonical SMILES: CC(CCC(=O)O)C1CCC2=C3CCC4CC(CCC4(C3CC(C12C)O)C)O
isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O
Commons category: Apocholic acid

Sources (3)

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