(5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-10,13,17-Trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthrene-3,11-Dione
[CAS# 5585-95-5]

Identification

• Name: (5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-10,13,17-Trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthrene-3,11-Dione
• Synonyms: (5S,8S,9S,10S,13S,14S,17S)-17-Hydroxy-10,13,17-Trimethyl-1,2,4,5,6,7,8,9,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-3,11-Quinone; C15354; 5.Alpha.-Androstane-3,11-Dione, 17.Beta.-Hydroxy-17-Methyl-
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.46
• CAS Registry Number: 5585-95-5
• SMILES: [C@H]23[C@@H]([C@@]1([C@H](CC(=O)CC1)CC2)C)C(C[C@]4([C@H]3CC[C@]4(C)O)C)=O
• InChI: 1S/C20H30O3/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/h12,14-15,17,23H,4-11H2,1-3H3/t12-,14-,15-,17+,18-,19-,20-/m0/s1
• InChIKey: SLGYIGUMKJYZLP-ZBXKYCABSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 454.128°C at 760 mmHg (Cal.)
• Flash point: 242.573°C (Cal.)