1-[(3R,5S,8S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 38393-04-3]

Identification

• Name: 1-[(3R,5S,8S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: Pregna-9(11),16-Dien-20-One, 3-Hydroxy-, (3Alpha,5Alpha)-; 3-Hpdo; 3Alpha-Hydroxy-5Alpha-Pregna-9(11),16-Diene-20-One
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 38393-04-3
• SMILES: [C@H]12[C@H]3C(=CC[C@@]1(C(=CC2)C(=O)C)C)[C@@]4([C@@H](CC3)C[C@H](O)CC4)C
• InChI: 1S/C21H30O2/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/h6,9,14-16,18,23H,4-5,7-8,10-12H2,1-3H3/t14-,15+,16-,18-,20-,21+/m0/s1
• InChIKey: OAYVNTJIQBDDEZ-GEZWIXNASA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 459.458°C at 760 mmHg (Cal.)
• Flash point: 195.576°C (Cal.)