(8R,9S,10R,13S,14S)-10,13-Dimethyl-7-(Phenylmethyl)-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 131802-66-9]

Identification

• Name: (8R,9S,10R,13S,14S)-10,13-Dimethyl-7-(Phenylmethyl)-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8R,9S,10R,13S,14S)-7-(Benzyl)-10,13-Dimethyl-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 7-Batdo; 7-Benzyl-1,4,6-Androstatriene-3,17-Dione
• Molecular Formula: C₂₆H₂₈O₂
• Molecular Weight: 372.51
• CAS Registry Number: 131802-66-9
• SMILES: [C@H]24[C@@H]([C@@]1(C(=CC(=O)C=C1)C=C2CC3=CC=CC=C3)C)CC[C@]5([C@H]4CCC5=O)C
• InChI: 1S/C26H28O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,10,12,15-16,21-22,24H,8-9,11,13-14H2,1-2H3/t21-,22-,24-,25-,26-/m0/s1
• InChIKey: TZJKJQQPVWTQSG-AEFDYNLKSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 554.219°C at 760 mmHg (Cal.)
• Flash point: 202.997°C (Cal.)