(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 1534-35-6]

Identification

• Name: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; (3Beta,5Beta)-3-Hydroxycholan-24-Oic Acid; Cholan-24-Oic Acid, 3-Hydroxy-, (3Beta,5Beta)-
• Molecular Formula: C₂₄H₄₀O₃
• Molecular Weight: 376.58
• CAS Registry Number: 1534-35-6
• SMILES: [C@@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@H]([C@@H](CCC(=O)O)C)[C@@]2(C)CC[C@H]34)C)O
• InChI: 1S/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
• InChIKey: SMEROWZSTRWXGI-WFVDQZAMSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 510.992°C at 760 mmHg (Cal.)
• Flash point: 276.926°C (Cal.)