3-Oxo-7-Hydroxychol-4-Enoic Acid
[CAS# 14772-95-3]

Identification

• Name: 3-Oxo-7-Hydroxychol-4-Enoic Acid
• Synonyms: (4R)-4-[(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]Valeric Acid; (7Alpha)-7-Hydroxy-3-Oxochol-4-En-24-Oic Acid; 3-Oxo-7-Hydroxychol-4-Enoic Acid
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.55
• CAS Registry Number: 14772-95-3
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C[C@H]4O)C)C
• InChI: 1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChIKey: CFLVYJJIZHNITM-NLXMLWGDSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 565.864°C at 760 mmHg (Cal.)
• Flash point: 310.074°C (Cal.)