4-Ethenylidene-5alpha-Androstane-3,17-Dione
[CAS# 84958-35-0]

Identification

• Name: 4-Ethenylidene-5alpha-Androstane-3,17-Dione
• Synonyms: (5R,8R,9S,10R,13S,14S)-10,13-Dimethyl-4-Vinylidene-1,2,5,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,17-Dione; (5R,8R,9S,10R,13S,14S)-10,13-Dimethyl-4-Vinylidene-1,2,5,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,17-Quinone; 4-Ethenylidene-5Alpha-Androstane-3,17-Dione
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 84958-35-0
• SMILES: [C@H]12[C](C(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CCC([C@@]3(C)CC4)=O)C)=O)=[C]=[CH2]
• InChI: 1S/C21H28O2/c1-4-13-15-6-5-14-16-7-8-19(23)21(16,3)11-9-17(14)20(15,2)12-10-18(13)22/h14-17H,1,5-12H2,2-3H3/t14-,15-,16-,17-,20-,21-/m0/s1
• InChIKey: WXYVGJCVJGOCJD-KZVLABISSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 453.82°C at 760 mmHg (Cal.)
• Flash point: 169.02°C (Cal.)