[(8R,9S,13S,14S,17S)-3-Acetyloxy-13-Methyl-6-Oxo-8,9,11,12,14,15,16,17-Octahydro-7H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 3434-45-5]

Identification

• Name: [(8R,9S,13S,14S,17S)-3-Acetyloxy-13-Methyl-6-Oxo-8,9,11,12,14,15,16,17-Octahydro-7H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(8R,9S,13S,14S,17S)-3-Acetoxy-13-Methyl-6-Oxo-8,9,11,12,14,15,16,17-Octahydro-7H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,13S,14S,17S)-3-Acetoxy-13-Methyl-6-Oxo-8,9,11,12,14,15,16,17-Octahydro-7H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,13S,14S,17S)-3-Acetoxy-6-Keto-13-Methyl-8,9,11,12,14,15,16,17-Octahydro-7H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₂H₂₆O₅
• Molecular Weight: 370.44
• CAS Registry Number: 3434-45-5
• SMILES: [C@H]1([C@]2(C)[C@@H](CC1)[C@H]4[C@H](CC2)C3=C(C=C(C=C3)OC(=O)C)C(=O)C4)OC(C)=O
• InChI: 1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21+,22+/m1/s1
• InChIKey: REXFWMANWYNMPV-AJYQEWAOSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 489.71°C at 760 mmHg (Cal.)
• Flash point: 212.868°C (Cal.)