[(8R,9S,10R,13S,14S,17S)-6-(Dibromomethylidene)-10,13-Dimethyl-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Propanoate
[CAS# 58193-99-0]

Identification

• Name: [(8R,9S,10R,13S,14S,17S)-6-(Dibromomethylidene)-10,13-Dimethyl-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Propanoate
• Synonyms: [(8R,9S,10R,13S,14S,17S)-6-(Dibromomethylene)-10,13-Dimethyl-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Propanoate; Propanoic Acid [(8R,9S,10R,13S,14S,17S)-6-(Dibromomethylene)-10,13-Dimethyl-3-Oxo-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Propionic Acid [(8R,9S,10R,13S,14S,17S)-6-(Dibromomethylene)-3-Keto-10,13-Dimethyl-2,7,8,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₃H₃₀Br₂O₃
• Molecular Weight: 514.30
• CAS Registry Number: 58193-99-0
• SMILES: [C@@H]1(CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@]3(C)C(=CC(CC3)=O)C(=C(Br)Br)C4)OC(CC)=O
• InChI: 1S/C23H30Br2O3/c1-4-20(27)28-19-6-5-16-14-12-15(21(24)25)18-11-13(26)7-9-22(18,2)17(14)8-10-23(16,19)3/h11,14,16-17,19H,4-10,12H2,1-3H3/t14-,16-,17-,19-,22+,23-/m0/s1
• InChIKey: ZVBFVKPTXOYOHX-WTBQFDOKSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 514.628°C at 760 mmHg (Cal.)
• Flash point: 265.038°C (Cal.)