Cholestane-3,7,24,25-Tetrol
[CAS# 58469-94-6]

Identification

• Name: Cholestane-3,7,24,25-Tetrol
• Synonyms: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4,5-Dihydroxy-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-Diol; (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5,6-Dihydroxy-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-Diol; (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4,5-Dihydroxy-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-Diol
• Molecular Formula: C₂₇H₄₈O₄
• Molecular Weight: 436.67
• CAS Registry Number: 58469-94-6
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@@H](CC2)O)C)CC3)CC[C@@H]4[C@@H](CCC(C(O)(C)C)O)C)C
• InChI: 1S/C27H48O4/c1-16(6-9-23(30)25(2,3)31)19-7-8-20-24-21(11-13-27(19,20)5)26(4)12-10-18(28)14-17(26)15-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,22-,23?,24+,26+,27-/m1/s1
• InChIKey: YITJWEZFBDGHJV-OTVIJEDMSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 577.039°C at 760 mmHg (Cal.)
• Flash point: 242.647°C (Cal.)