[(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-Methylsulfanylcarbonyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 79578-14-6]

Identification

• Name: [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-Methylsulfanylcarbonyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-[(Methylthio)-Oxomethyl]-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-17-(Methylthio)Carbonyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,10S,11S,13S,14S,16S)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-17-Methylsulfanylcarbonyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₄H₃₁FO₅S
• Molecular Weight: 450.56
• CAS Registry Number: 79578-14-6
• SMILES: [C@H]12[C@@](C(OC(=O)C)([C@H](C1)C)C(SC)=O)(C[C@H](O)C3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C24H31FO5S/c1-13-10-18-17-7-6-15-11-16(27)8-9-21(15,3)23(17,25)19(28)12-22(18,4)24(13,20(29)31-5)30-14(2)26/h8-9,11,13,17-19,28H,6-7,10,12H2,1-5H3/t13-,17-,18-,19-,21-,22-,23?,24?/m0/s1
• InChIKey: NWJQIUPQBDVVLW-LWKYSAPBSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 557.373°C at 760 mmHg (Cal.)
• Flash point: 290.889°C (Cal.)