(2E,8R,9S,10R,13S,14S,17S)-17-Hydroxy-2-(Hydroxymethylidene)-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 40996-87-0]

Identification

• Name: (2E,8R,9S,10R,13S,14S,17S)-17-Hydroxy-2-(Hydroxymethylidene)-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (2E,8R,9S,10R,13S,14S,17S)-17-Hydroxy-2-(Hydroxymethylene)-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; 17Beta-Hydroxy-2-(Hydroxymethylene)Androst-4-Ene-3-One
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 40996-87-0
• EINECS: 255-171-6
• SMILES: [C@]12(C(=CC(C(/C1)=C/O)=O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C
• InChI: 1S/C20H28O3/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h9,11,14-16,18,21,23H,3-8,10H2,1-2H3/b12-11+/t14-,15-,16-,18-,19-,20-/m0/s1
• InChIKey: WBQHPGBBOIFJLF-HYGFMDNESA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 488.312°C at 760 mmHg (Cal.)
• Flash point: 263.224°C (Cal.)