(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-3-Hydroxy-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-7-One
[CAS# 33530-84-6]

Identification

• Name: (3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-3-Hydroxy-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-7-One
• Synonyms: (3S,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-3-Hydroxy-10,13-Dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-7-One; 7-Ketopregnenolone; Pregn-5-Ene-7,20-Dione, 3-Beta-Hydroxy-
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 33530-84-6
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]4(C(=CC3=O)C[C@@H](O)CC4)C)C
• InChI: 1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15+,16-,17-,19-,20-,21+/m0/s1
• InChIKey: WNHLZNUVEVVTSY-GVQHXQKQSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 489.056°C at 760 mmHg (Cal.)
• Flash point: 263.674°C (Cal.)