(7alpha)-7-Hydroxy-3-Oxo-Cholest-4-En-26-Oic Acid
[CAS# 115538-85-7]

Identification

• Name: (7alpha)-7-Hydroxy-3-Oxo-Cholest-4-En-26-Oic Acid
• Synonyms: (6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptanoic Acid; (6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-Hydroxy-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Enanthic Acid; 7-Hoca
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.63
• CAS Registry Number: 115538-85-7
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C(=O)O)C)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C[C@H]4O)C)C
• InChI: 1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1
• InChIKey: SATGKQGFUDXGAX-MYWFJNCASA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 590.459°C at 760 mmHg (Cal.)
• Flash point: 324.933°C (Cal.)