(8S,9S,10R,13S,14S,17S)-17-Hydroxy-10,13,17-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 5419-48-7]

Identification

• Name: (8S,9S,10R,13S,14S,17S)-17-Hydroxy-10,13,17-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Hydroxy-10,13,17-Trimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthrene-3,11-Quinone; 17-Beta-Hydroxy-17-Methyl-4-Androstene-3,11-Dione; 17Beta-Hydroxy-17-Methyl-4-Androstene-3,11-Dione
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 5419-48-7
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(C[C@]4([C@H]3CC[C@]4(C)O)C)=O
• InChI: 1S/C20H28O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-15,17,23H,4-9,11H2,1-3H3/t14-,15-,17+,18-,19-,20-/m0/s1
• InChIKey: KYLCHXHHSBPYCB-GECNCUIPSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 475.684°C at 760 mmHg (Cal.)
• Flash point: 255.596°C (Cal.)