3-Hydroxy-5-Cholestenoic Acid
[CAS# 6561-58-6]

Identification

• Name: 3-Hydroxy-5-Cholestenoic Acid
• Synonyms: (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptanoic Acid; (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Enanthic Acid; 3-Hcoa
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 6561-58-6
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C(=O)O)C)C)C
• InChI: 1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: WVXOMPRLWLXFAP-AMQKJUDNSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 551.427°C at 760 mmHg (Cal.)
• Flash point: 301.353°C (Cal.)