Cholestane-3,7,12,23-Tetrol
[CAS# 68832-44-0]

Identification

• Name: Cholestane-3,7,12,23-Tetrol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,3R)-3-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,3R)-3-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4R)-4-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol
• Molecular Formula: C₂₇H₄₈O₄
• Molecular Weight: 436.67
• CAS Registry Number: 68832-44-0
• SMILES: [C@@H]4([C@@H](C[C@@H](CC(C)C)O)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1C[C@@H](CC[C@@]1([C@H]2C[C@@H]3O)C)O)O)CC4)C
• InChI: 1S/C27H48O4/c1-15(2)10-19(29)11-16(3)20-6-7-21-25-22(14-24(31)27(20,21)5)26(4)9-8-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17+,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: VGCSSPQIZFVVCH-MYKQRDHBSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 568.418°C at 760 mmHg (Cal.)
• Flash point: 238.281°C (Cal.)