Methyl 3-Keto-7Α,12Α-Dihydroxy-5Α-Cholanoate

• Catalog Number: ACM14772920
• Product Name: Methyl 3-Keto-7Α,12Α-Dihydroxy-5Α-Cholanoate
• CAS: 14772-92-0
• Category: Heterocyclic Organic Compound
• Synonyms: 7α,12α-Dihydroxy-3-oxo-5α-cholan-24-oic Acid Methyl Ester
• IUPAC Name: methyl (4S)-4-[(5S,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
• Molecular Weight: 420.58
• Molecular Formula: C25H40O5
• Canonical SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C[C@H]4CC(=O)CC[C@H]4(C)C3C[C@H](O)[C@H]12C
• InChI Key: CIZOGAIBGCZRCL-CREZPWRFSA-N
• Boiling Point: 540ºC at 760 mmHg
• Melting Point: 120-123 °C (lit.)
• Flash Point: 175.2ºC
• Density: 1.137g/cm³
• Appearance: Slightly Yellow Solid
• Exact Mass: 420.28800
• H-Bond Acceptor: 5
• H-Bond Donor: 2