(6R)-4-Hydroxy-2-Methyl-6-[(8R,9S,10S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptanoic Acid
[CAS# 121500-92-3]

Identification

• Name: (6R)-4-Hydroxy-2-Methyl-6-[(8R,9S,10S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Heptanoic Acid
• Synonyms: (6R)-4-Hydroxy-2-Methyl-6-[(8R,9S,10S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Enanthic Acid; 3,7,12,23-Thca; 3,7,12,23-Tetrahydroxycholestanoic Acid
• Molecular Formula: C₂₇H₄₆O₆
• Molecular Weight: 466.66
• CAS Registry Number: 121500-92-3
• SMILES: [C@@H]23C(CC1CC(CC[C@@]1([C@H]2CC([C@]4([C@H]3CC[C@@H]4[C@@H](CC(CC(C(=O)O)C)O)C)C)O)C)O)O
• InChI: 1S/C27H46O6/c1-14(9-18(29)10-15(2)25(32)33)19-5-6-20-24-21(13-23(31)27(19,20)4)26(3)8-7-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16?,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1
• InChIKey: MWMOIWJQWNZGCC-FOWZETMTSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 648.316°C at 760 mmHg (Cal.)
• Flash point: 359.885°C (Cal.)