[2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Acetate
[CAS# 3044-42-6]

Identification

• Name: [2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Acetate
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(8S,9S,10R,11S,13S,14S)-11-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₈O₅
• Molecular Weight: 384.47
• CAS Registry Number: 3044-42-6
• EINECS: 221-250-9
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@]4([C@H]3CC=C4C(=O)COC(=O)C)C
• InChI: 1S/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3/t16-,17-,19-,21+,22-,23-/m0/s1
• InChIKey: ABGUZAVIFZZDDZ-MHYQPVDNSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 553.375°C at 760 mmHg (Cal.)
• Flash point: 189.914°C (Cal.)