(2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-Hydroxypentanoic Acid
[CAS# 105369-89-9]

Identification

• Name: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-Hydroxypentanoic Acid
• Synonyms: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-Hydroxy-Pentanoic Acid; (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-2-Hydroxy-Valeric Acid; Cholan-24-Oic Acid, 3,7,23-Trihydroxy-, (3Alpha,5Beta,7Alpha,23R)-
• Molecular Formula: C₂₄H₄₀O₅
• Molecular Weight: 408.58
• CAS Registry Number: 105369-89-9
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H](C[C@H](C(=O)O)O)C)[C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C24H40O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,21+,23+,24-/m1/s1
• InChIKey: SLDVWYDDPPFGHK-WEZRZJDESA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 580.331°C at 760 mmHg (Cal.)
• Flash point: 318.814°C (Cal.)