[(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 151-69-9]

Identification

• Name: [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(6S,8R,9S,10R,13S,14S,17R)-6-Chloro-17-Ethanoyl-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₃H₂₉ClO₄
• Molecular Weight: 404.93
• CAS Registry Number: 151-69-9
• SMILES: [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)Cl)C)CC3)CC4)C)(OC(C)=O)C(C)=O
• InChI: 1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11,16-18,20H,6-7,9-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1
• InChIKey: AQDNTKZTMCWYDA-WXLIAARGSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 525.051°C at 760 mmHg (Cal.)
• Flash point: 178.598°C (Cal.)