1-[(8R,9S,10S,13S,14S,17S)-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# 32695-80-0]

Identification

• Name: 1-[(8R,9S,10S,13S,14S,17S)-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: Pregnan-20-One; Pregnane-20-One
• Molecular Formula: C₂₁H₃₄O
• Molecular Weight: 302.50
• CAS Registry Number: 32695-80-0
• SMILES: [C@@H]23CCC1CCCC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@@H]4C(C)=O)C)C
• InChI: 1S/C21H34O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h15-19H,4-13H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: RSRDWHPVTMQUGZ-OZIWPBGVSA-N

Properties

• Density: 0.991g/cm³ (Cal.)
• Boiling point: 389.715°C at 760 mmHg (Cal.)
• Flash point: 207.093°C (Cal.)