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

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Catalog Number ACM14772920
Product Name Methyl 3-Keto-7Α,12Α-Dihydroxy-5Α-Cholanoate
CAS Number 14772-92-0
Structure Methyl 3-Keto-7Α,12Α-Dihydroxy-5Α-Cholanoate
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
Synonyms 7α,12α-Dihydroxy-3-oxo-5α-cholan-24-oic Acid Methyl Ester;
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
InChIKey CIZOGAIBGCZRCL-CREZPWRFSA-N
Boiling Point 540ºC at 760 mmHg
Melting Point 120-123 °C (lit.)
Flash Point 175.2ºC
Purity 96%
Density 1.137g/cm³
Appearance Slightly Yellow Solid

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