1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 566-66-5]

Identification

• Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: 4-Pregnene-3β-ol-20-one
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 566-66-5
• SMILES: CC(=O)[C@H]2CC[C@H]3[C@@H]4CC/C1=C/[C@@H](O)CC[C@]1(C)[C@H]4CC[C@]23C
• InChI: 1S/C21H32O2/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/h12,15-19,23H,4-11H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: QWVWXRKHAXWWSV-QGVNFLHTSA-N

Properties

• Density: 1.091g/cm³ (Cal.)
• Boiling point: 444.877°C at 760 mmHg (Cal.)
• Flash point: 189.6°C (Cal.)