(8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-1-Methylidene-3,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-2H-Cyclopenta[a]Phenanthren-17-One
[CAS# 3398-66-1]

Identification

• Name: (8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-1-Methylidene-3,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-2H-Cyclopenta[a]Phenanthren-17-One
• Synonyms: (8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-1-Methylene-3,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-2H-Cyclopenta[A]Phenanthren-17-One; 3Alpha-Hydroxy-1-Methylene-5Alpha-Androstan-17-One; Androstan-17-One, 3-Hydroxy-1-Methylene-, (3Alpha,5Alpha)-
• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.46
• CAS Registry Number: 3398-66-1
• SMILES: [C@@H]23CCC1CC(CC([C@@]1([C@H]2CC[C@]4([C@H]3CCC4=O)C)C)=C)O
• InChI: 1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h13-17,21H,1,4-11H2,2-3H3/t13?,14?,15-,16-,17-,19-,20-/m0/s1
• InChIKey: YSEVFKWFUGTGAQ-UHTBABGTSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 425.147°C at 760 mmHg (Cal.)
• Flash point: 181.415°C (Cal.)