[(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-Acetyl-16-Bromo-17-Hydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 1780-97-8]

Identification

• Name: [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-Acetyl-16-Bromo-17-Hydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: Acetic Acid [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-Acetyl-16-Bromo-17-Hydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-17-Acetyl-16-Bromo-17-Hydroxy-11-Keto-10,13-Dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8S,9S,10S,13S,14S,16S,17R)-16-Bromo-17-Ethanoyl-17-Hydroxy-10,13-Dimethyl-11-Oxo-2,3,4,5,6,7,8,9,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₃BrO₅
• Molecular Weight: 469.41
• CAS Registry Number: 1780-97-8
• SMILES: [C@@]1([C@@H](Br)C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)(O)C(=O)C
• InChI: 1S/C23H33BrO5/c1-12(25)23(28)19(24)10-17-16-6-5-14-9-15(29-13(2)26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h14-17,19-20,28H,5-11H2,1-4H3/t14-,15-,16-,17-,19-,20+,21-,22-,23+/m0/s1
• InChIKey: DHFXZXVWFURDJS-UDHGNGJMSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 548.158°C at 760 mmHg (Cal.)
• Flash point: 285.316°C (Cal.)