(5S,8S,9S,10S,13R,14S)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Dione
[CAS# 1035-71-8]

Identification

• Name: (5S,8S,9S,10S,13R,14S)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Dione
• Synonyms: (5S,8S,9S,10S,13R,14S)-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Quinone; Androstane-3,16-Dione, (5.Alpha.)-; Nsc66585
• Molecular Formula: C₁₉H₂₈O₂
• Molecular Weight: 288.43
• CAS Registry Number: 1035-71-8
• SMILES: [C@H]23[C@@H]([C@@]1([C@H](CC(=O)CC1)CC2)C)CC[C@]4([C@H]3CC(=O)C4)C
• InChI: 1S/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12,15-17H,3-11H2,1-2H3/t12-,15+,16-,17-,18+,19-/m0/s1
• InChIKey: HPGVUTVMDZKEBU-PMBYUEKTSA-N

Properties

• Density: 1.08g/cm³ (Cal.)
• Boiling point: 411.219°C at 760 mmHg (Cal.)
• Flash point: 153.897°C (Cal.)