(4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 3664-87-7]

Identification

• Name: (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; Lmst04010202; 3-Hydroxy-6-Cholen-24-Oic Acid
• Molecular Formula: C₂₄H₃₈O₃
• Molecular Weight: 374.56
• CAS Registry Number: 3664-87-7
• SMILES: [C@@H]4([C@@H](CCC(=O)O)C)[C@@]3([C@H]([C@@H]2C=C[C@@H]1C[C@@H](CC[C@@]1([C@H]2CC3)C)O)CC4)C
• InChI: 1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,15-21,25H,4,7-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
• InChIKey: AZFLHSKQKSZOET-HVATVPOCSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 510.817°C at 760 mmHg (Cal.)
• Flash point: 276.82°C (Cal.)