16-Acetoxy-17-acetoxymethyl-11,17-dihydroxy-D-homoandrosta-1,4-diene-3,17-dione
[CAS# 125022-46-0]

Identification

• Name: 16-Acetoxy-17-acetoxymethyl-11,17-dihydroxy-D-homoandrosta-1,4-diene-3,17-dione
• Synonyms: [(8S,10S,11S,13S,14S,16R,17R)-17-(3-Acetoxy-2-Oxo-Propanoyl)-11,17-Dideuteriooxy-9-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-16-Yl] Acetate; Acetic Acid [(8S,10S,11S,13S,14S,16R,17R)-17-(3-Acetoxy-1,2-Dioxopropyl)-11,17-Dideuteriooxy-9-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(8S,10S,11S,13S,14S,16R,17R)-17-(3-Acetoxy-2-Keto-Propanoyl)-11,17-Dideuteriooxy-9-Fluoro-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₂₆H₂₉D₂FO₉
• Molecular Weight: 508.54
• CAS Registry Number: 125022-46-0
• SMILES: [C@H]12[C@@]([C@@](O[2H])([C@H](OC(=O)C)C1)C(=O)C(=O)COC(=O)C)(C[C@H](O[2H])C3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C26H31FO9/c1-13(28)35-12-19(31)22(33)26(34)21(36-14(2)29)10-18-17-6-5-15-9-16(30)7-8-23(15,3)25(17,27)20(32)11-24(18,26)4/h7-9,17-18,20-21,32,34H,5-6,10-12H2,1-4H3/t17-,18-,20-,21+,23-,24-,25?,26+/m0/s1/i32D,34D
• InChIKey: NJCNNKYIBDJTOX-AWYDKESQSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 630.928°C at 760 mmHg (Cal.)
• Flash point: 335.373°C (Cal.)