(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5-(Oxetan-3-Yl)Pentan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
[CAS# 3692-27-1]

Identification

• Name: (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5-(Oxetan-3-Yl)Pentan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
• Synonyms: (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-Methyl-4-(Oxetan-3-Yl)Butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-Methyl-4-(3-Oxetanyl)Butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3Alpha,5Alpha,7Alpha,12Alpha)-26,27-Epoxycholestane-3,7,12-Triol
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 434.66
• CAS Registry Number: 3692-27-1
• SMILES: [C@]24([C@H]([C@@H]1[C@@H](C[C@@H]3[C@@]([C@H]1C[C@@H]2O)(CC[C@@H](O)C3)C)O)CC[C@@H]4[C@@H](CCCC5COC5)C)C
• InChI: 1S/C27H46O4/c1-16(5-4-6-17-14-31-15-17)20-7-8-21-25-22(13-24(30)27(20,21)3)26(2)10-9-19(28)11-18(26)12-23(25)29/h16-25,28-30H,4-15H2,1-3H3/t16-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: UHVWHYLAKWRVGN-BBBUMGABSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 567.92°C at 760 mmHg (Cal.)
• Flash point: 297.268°C (Cal.)