[(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12 ,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl] Cyclohexane Carboxylate
[CAS# 20592-38-5]

Identification

• Name: [(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12 ,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl] Cyclohexane Carboxylate
• Synonyms: Cyclohexanecarboxylic Acid [(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Cyclohexanecarboxylic Acid [(5S,8R,9S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 17Beta-Hydroxy-5Alpha-Androstan-3-One Cyclohexanecarboxylate
• Molecular Formula: C₂₆H₄₀O₃
• Molecular Weight: 400.60
• CAS Registry Number: 20592-38-5
• SMILES: [C@H]4([C@]3(C)[C@H]([C@@H]2CC[C@@H]1[C@](C)(CCC(=O)C1)[C@H]2CC3)CC4)OC(=O)C5CCCCC5
• InChI: 1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
• InChIKey: YOVFVQWNQMEMNF-LVYWIKMTSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 499.384°C at 760 mmHg (Cal.)
• Flash point: 212.734°C (Cal.)