[(5S,8S,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-2-(2,2,2-Trifluoroacetyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 1880-36-0]

Identification

• Name: [(5S,8S,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-2-(2,2,2-Trifluoroacetyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-2-(2,2,2-Trifluoro-1-Oxoethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(5S,8R,9S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-2-(2,2,2-Trifluoroacetyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-2-(2,2,2-Trifluoroethanoyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₁F₃O₄
• Molecular Weight: 428.49
• CAS Registry Number: 1880-36-0
• SMILES: [C@@H]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4CC(=O)C(C[C@]34C)C(=O)C(F)(F)F)C)OC(C)=O
• InChI: 1S/C23H31F3O4/c1-12(27)30-19-7-6-16-14-5-4-13-10-18(28)15(20(29)23(24,25)26)11-22(13,3)17(14)8-9-21(16,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15?,16-,17-,19-,21-,22-/m0/s1
• InChIKey: DEMBSTKGTUKIOV-KTCKLSTMSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 466.14°C at 760 mmHg (Cal.)
• Flash point: 227.266°C (Cal.)