(8R,9S,10R,13S,14S)-10,13-Dimethyl-7-Phenyl-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 131802-65-8]

Identification

• Name: (8R,9S,10R,13S,14S)-10,13-Dimethyl-7-Phenyl-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8R,9S,10R,13S,14S)-10,13-Dimethyl-7-Phenyl-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 7-Patdo; 7-Phenyl-1,4,6-Androstatriene-3,17-Dione
• Molecular Formula: C₂₅H₂₆O₂
• Molecular Weight: 358.48
• CAS Registry Number: 131802-65-8
• SMILES: [C@H]24[C@@H]([C@@]1(C(=CC(=O)C=C1)C=C2C3=CC=CC=C3)C)CC[C@]5([C@H]4CCC5=O)C
• InChI: 1S/C25H26O2/c1-24-12-10-18(26)14-17(24)15-19(16-6-4-3-5-7-16)23-20-8-9-22(27)25(20,2)13-11-21(23)24/h3-7,10,12,14-15,20-21,23H,8-9,11,13H2,1-2H3/t20-,21-,23-,24-,25-/m0/s1
• InChIKey: NMLPFJDDIKKFFL-OWUXGNKUSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 545.61°C at 760 mmHg (Cal.)
• Flash point: 200.167°C (Cal.)