[2-[(8R,9S,10R,13S,14S,16S,17R)-16-bromo-17-hydroxy-10,13-Dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
[CAS# 14994-25-3]

Identification

• Name: [2-[(8R,9S,10R,13S,14S,16S,17R)-16-bromo-17-hydroxy-10,13-Dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethanoate
• Synonyms: [2-[(8R,9S,10R,13S,14S,16S,17R)-16-Bromo-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8R,9S,10R,13S,14S,16S,17R)-16-Bromo-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8R,9S,10R,13S,14S,16S,17R)-16-Bromo-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₃₁BrO₅
• Molecular Weight: 467.40
• CAS Registry Number: 14994-25-3
• SMILES: [C@]4([C@@]3(C)CC[C@@H]2[C@]1(CCC(=O)C=C1CC[C@H]2[C@@H]3C[C@@H]4Br)C)(O)C(COC(C)=O)=O
• InChI: 1S/C23H31BrO5/c1-13(25)29-12-20(27)23(28)19(24)11-18-16-5-4-14-10-15(26)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-19,28H,4-9,11-12H2,1-3H3/t16-,17+,18+,19+,21+,22+,23+/m1/s1
• InChIKey: PWVPSOWELFUEGX-YYXSXRTQSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 576.359°C at 760 mmHg (Cal.)
• Flash point: 302.371°C (Cal.)