Methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoacetate
[CAS# 54602-96-9]

Identification

• Name: Methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoacetate
• Synonyms: Methyl 2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Acetate; 2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoacetic Acid Methyl Ester; 2-[(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Acetic Acid Methyl Ester
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.46
• CAS Registry Number: 54602-96-9
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@]4([C@H]3CC[C@@H]4C(=O)C(OC)=O)C
• InChI: 1S/C22H28O5/c1-21-9-8-13(23)10-12(21)4-5-14-15-6-7-16(19(25)20(26)27-3)22(15,2)11-17(24)18(14)21/h8-10,14-18,24H,4-7,11H2,1-3H3/t14-,15-,16+,17-,18+,21-,22-/m0/s1
• InChIKey: JZCOBGHTAHKMBZ-CNUHWHHESA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 533.003°C at 760 mmHg (Cal.)
• Flash point: 183.736°C (Cal.)