(4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-Hydroxy-7-Hydroxyimino-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 131204-64-3]

Identification

• Name: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-3-Hydroxy-7-Hydroxyimino-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(7Z,8R,9S,10S,13R,14S,17R)-7-Hydroximino-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3-Hydroxy-7-(Hydroxyimino)Cholanic Acid; Hhca
• Molecular Formula: C₂₄H₃₉NO₄
• Molecular Weight: 405.58
• CAS Registry Number: 131204-64-3
• SMILES: [C@H]2\3[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4(C(CC3=N/O)CC(O)CC4)C)C
• InChI: 1S/C24H39NO4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(26)12-15(23)13-20(22)25-29/h14-19,22,26,29H,4-13H2,1-3H3,(H,27,28)/b25-20-/t14-,15?,16?,17-,18+,19+,22+,23+,24-/m1/s1
• InChIKey: BTJWQMQHCORTED-MBKKHDIZSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 576.506°C at 760 mmHg (Cal.)
• Flash point: 302.46°C (Cal.)