[(5R,7R,9R,10R,13S,17R)-17-[(2S)-5-(3,3-Dimethyloxiran-2-Yl)-2-Methoxyoxolan-3-Yl]-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[a]Phenanthren-7-Yl] Acetate
[CAS# 161043-67-0]

Identification

• Name: [(5R,7R,9R,10R,13S,17R)-17-[(2S)-5-(3,3-Dimethyloxiran-2-Yl)-2-Methoxyoxolan-3-Yl]-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[a]Phenanthren-7-Yl] Acetate
• Synonyms: [(5R,7R,9R,10R,13S,17R)-17-[(2S)-5-(3,3-Dimethyloxiran-2-Yl)-2-Methoxy-Tetrahydrofuran-3-Yl]-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Acetate; Acetic Acid [(5R,7R,9R,10R,13S,17R)-17-[(2S)-5-(3,3-Dimethyl-2-Oxiranyl)-2-Methoxy-3-Tetrahydrofuranyl]-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Ester; Acetic Acid [(5R,7R,9R,10R,13S,17R)-17-[(2S)-5-(3,3-Dimethyloxiran-2-Yl)-2-Methoxy-Tetrahydrofuran-3-Yl]-3-Keto-4,4,8,10,13-Pentamethyl-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Ester
• Molecular Formula: C₃₃H₄₈O₆
• Molecular Weight: 540.74
• CAS Registry Number: 161043-67-0
• SMILES: [C@@H]25C(C1=CC[C@@H]([C@@]1(CC2)C)C3[C@H](OC(C3)C4OC4(C)C)OC)([C@H](OC(=O)C)C[C@@H]6[C@@]5(C=CC(=O)C6(C)C)C)C
• InChI: 1S/C33H48O6/c1-18(34)37-26-17-24-29(2,3)25(35)13-15-32(24,7)23-12-14-31(6)20(10-11-22(31)33(23,26)8)19-16-21(38-28(19)36-9)27-30(4,5)39-27/h11,13,15,19-21,23-24,26-28H,10,12,14,16-17H2,1-9H3/t19?,20-,21?,23-,24+,26-,27?,28+,31+,32-,33?/m1/s1
• InChIKey: OTQGYKHVZJRPCB-ZPOFDBNXSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 593.345°C at 760 mmHg (Cal.)
• Flash point: 246.026°C (Cal.)