Sodium 3-({[(11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl]oxy}carbonyl)benzenesulfonate
[CAS# 94135-40-7]

Identification

• Name: Sodium 3-({[(11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl]oxy}carbonyl)benzenesulfonate
• Synonyms: Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16β)-
• Molecular Formula: C₂₉H₃₂FNaO₉S
• Molecular Weight: 598.61
• CAS Registry Number: 94135-40-7
• EINECS: 302-910-6
• SMILES: [Na+].[O-]S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)[C@@]5(O)[C@@H](C)C[C@H]4[C@@H]3CC/C2=C/C(=O)/C=C\[C@]2(C)[C@@]3(F)[C@@H](O)C[C@@]45C
• InChI: 1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1/t16-,21-,22-,23-,26-,27-,28-,29-;/m0./s1
• InChIKey: RPBJOYICBFNIMN-ISTQVZLFSA-M