[2-[(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hydrogen Sulfate
[CAS# 36493-04-6]

Identification

• Name: [2-[(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Hydrogen Sulfate
• Synonyms: [2-[(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Hydrogen Sulfate; [2-[(8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Hydrogen Sulfate; 9-Fluoro-11Beta,17,21-Trihydroxy-16Alpha-Methylpregna-1,4-Diene-3,20-Dione Mono(Hydrogen Sulphate)
• Molecular Formula: C₂₂H₂₉FO₈S
• Molecular Weight: 472.52
• CAS Registry Number: 36493-04-6
• EINECS: 253-061-2
• SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(=O)CO[S](=O)(=O)O)C
• InChI: 1S/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)/t12-,15+,16+,17+,19+,20+,21?,22+/m1/s1
• InChIKey: URGVZGFGWFYRGP-ZCWWIVCJSA-N

Properties

• Density: 1.471g/cm³ (Cal.)