[(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 1164-95-0]

Identification

• Name: [(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: Acetic Acid [(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3R,5S,8R,9S,10S,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 1164-95-0
• EINECS: 214-612-2
• SMILES: [C@H]13[C@@H]([C@@]2([C@@H](CC1)C[C@H](OC(=O)C)CC2)C)CC[C@]4([C@H]3CCC4=O)C
• InChI: 1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1
• InChIKey: FDCINQSOYQUNKB-XVYLQWLCSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 424.64°C at 760 mmHg (Cal.)
• Flash point: 182.816°C (Cal.)