(8R,9S,10R,13S,14S)-10,13-Dimethyl-7-(2-Phenylethyl)-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 131802-67-0]

Identification

• Name: (8R,9S,10R,13S,14S)-10,13-Dimethyl-7-(2-Phenylethyl)-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8R,9S,10R,13S,14S)-10,13-Dimethyl-7-(2-Phenylethyl)-9,11,12,14,15,16-Hexahydro-8H-Cyclopenta[A]Phenanthrene-3,17-Quinone; Androsta-1,4,6-Triene-3,17-Dione, 7-(2-Phenylethyl)-; 7-Peatdo
• Molecular Formula: C₂₇H₃₀O₂
• Molecular Weight: 386.53
• CAS Registry Number: 131802-67-0
• SMILES: [C@H]24[C@@H]([C@@]1(C(=CC(=O)C=C1)C=C2CCC3=CC=CC=C3)C)CC[C@]5([C@H]4CCC5=O)C
• InChI: 1S/C27H30O2/c1-26-14-12-21(28)17-20(26)16-19(9-8-18-6-4-3-5-7-18)25-22-10-11-24(29)27(22,2)15-13-23(25)26/h3-7,12,14,16-17,22-23,25H,8-11,13,15H2,1-2H3/t22-,23-,25-,26-,27-/m0/s1
• InChIKey: KAZZIVRRZAPNCV-CVSNDOPFSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 566.542°C at 760 mmHg (Cal.)
• Flash point: 207.021°C (Cal.)