Apocholic Acid

• CAS: 641-81-6
• Catalog Number: ACM641816
• Category: Other Products
• Molecular Weight: 390.56
• Molecular Formula: C24H38O4
• Synonyms: 3,12-dihydroxy-,(3-alpha,5-beta,12-alpha)-chol-8(14)-en-24-oicaci;3-alpha,12-alpha-dihydroxy-5-beta-chol-8(14)-en-24-oicaci;APOCHOLIC ACID;5-BETA,18(14)-CHOLEN-24-OIC ACID-3-ALPHA,12-ALPHA-DIOL;5BETA,8(14)-CHOLEN-24-OIC ACID-3ALPHA,12ALPHA-DIOL;3ALPHA,12
• 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
• Canonical 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@H]12C)O)C)O
• InChI Key: XWJTYEGVQBFZHI-IMPNNSMHSA-N
• Boiling Point: 560.5ºC at 760 mmHg
• Melting Point: 175-176ºC(lit.)
• Flash Point: 306.8ºC
• Density: 1.17g/cm³
• Exact Mass: 390.27700
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• WGK Germany: 3