Sodium (4R)-4-[(3R,5R,6S,10R,13R,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
[CAS# 31687-62-4]

Identification

• Name: Sodium (4R)-4-[(3R,5R,6S,10R,13R,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
• Synonyms: Sodium (4R)-4-[(3R,5R,6S,10R,13R,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valerate; 5Beta-Cholan-24-Oic Acid, 3Alpha,6Alpha-Dihydroxy-, Monosodium Salt; Cholan-24-Oic Acid, 3,6-Dihydroxy-, Monosodium Salt, (3Alpha,5Beta,6Alpha)-
• Molecular Formula: C₂₄H₃₉NaO₄
• Molecular Weight: 414.56
• CAS Registry Number: 31687-62-4
• SMILES: [C@]34(C(C1C([C@@]2([C@H]([C@@H](O)C1)C[C@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCC([O-])=O)C)C.[Na+]
• InChI: 1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16?,17-,18?,19?,20+,21+,23-,24-;/m1./s1
• InChIKey: DUYSCILLIVEITB-IHUGHQDSSA-M

Properties

• Boiling point: 547.1°C at 760 mmHg (Cal.)
• Flash point: 298.8°C (Cal.)