(1R,3aS,3bR,9aR,9bS,11aS)-5-chloro-1-ethanoyl-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[7,6-h]isochromen-7-one
[CAS# 105149-04-0]

Identification

• Name: (1R,3aS,3bR,9aR,9bS,11aS)-5-chloro-1-ethanoyl-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,9,9b,10,11-octahydroindeno[7,6-h]isochromen-7-one
• Synonyms: (1R,3As,3Br,9Ar,9Bs,11As)-5-Chloro-1-Ethanoyl-1-Hydroxy-9A,11A-Dimethyl-2,3,3A,3B,9,9B,10,11-Octahydroindeno[7,6-H]Isochromen-7-One; ( )-6-Chloro-17-Hydroxy-2-Oxapregna-4,6-Diene-3,20-Dione; Osaterone
• Molecular Formula: C₂₀H₂₅ClO₄
• Molecular Weight: 364.87
• CAS Registry Number: 105149-04-0
• SMILES: [C@H]24[C@H]1[C@@]([C@](C(C)=O)(O)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)OC3)C(=C4)Cl)C)C
• InChI: 1S/C20H25ClO4/c1-11(22)20(24)7-5-14-12-8-16(21)15-9-17(23)25-10-18(15,2)13(12)4-6-19(14,20)3/h8-9,12-14,24H,4-7,10H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
• InChIKey: ZLLOIFNEEWYATC-XMUHMHRVSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 536.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 278.1±30.1°C (Cal.)