1-[(8R,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 4406-35-3]

Identification

• Name: 1-[(8R,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: Epiallopregnanolone; Pregnan-3-Ol-20-One
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.50
• CAS Registry Number: 4406-35-3
• SMILES: [C@@]12(CCC(CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)C)C)O)C
• InChI: 1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15?,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: AURFZBICLPNKBZ-SRJHXTLLSA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 431.151°C at 760 mmHg (Cal.)
• Flash point: 183.917°C (Cal.)