Ethyl (8S,9S,10R,11S,13S,14S)-17-(2,2-Dichloroacetyl)Oxy-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-17-Carboxylate
[CAS# 199331-40-3]

Identification

• Name: Ethyl (8S,9S,10R,11S,13S,14S)-17-(2,2-Dichloroacetyl)Oxy-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-17-Carboxylate
• Synonyms: (8S,9S,10R,11S,13S,14S)-17-(2,2-Dichloro-1-Oxoethoxy)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-17-Carboxylic Acid Ethyl Ester; (8S,9S,10R,11S,13S,14S)-17-(2,2-Dichloroacetyl)Oxy-11-Hydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-17-Carboxylic Acid Ethyl Ester; Ethyl (8S,9S,10R,11S,13S,14S)-17-(2,2-Dichloroethanoyloxy)-11-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-17-Carboxylate
• Molecular Formula: C₂₄H₃₀Cl₂O₆
• Molecular Weight: 485.40
• CAS Registry Number: 199331-40-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3(C(OC(=O)C(Cl)Cl)(CC4)C(OCC)=O)C
• InChI: 1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24?/m0/s1
• InChIKey: QAIOVDNCIZSSSF-HROOLPEPSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 581.748°C at 760 mmHg (Cal.)
• Flash point: 305.63°C (Cal.)