Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16α)-
CAS Registry Number®
37413-97-1
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CAS Name
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16α)-Molecular Formula
C29H33FO8S.NaCite this Page
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=37413-97-1 (retrieved ) (CAS RN: 37413-97-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H33FO8S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-28(18,3)29(21,30)24(33)14-27(22,2)25(16)23(32)15-38-26(34)17-5-4-6-20(12-17)39(35,36)37;/h4-6,9-10,12-13,16,21-22,24-25,33H,7-8,11,14-15H2,1-3H3,(H,35,36,37);/t16-,21+,22+,24+,25-,27+,28+,29+;/m1./s1
InChIKey
InChIKey=YZHUNVZGCPHKJE-FVKNIENFSA-N
SMILES
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@@H](C(COC(=O)C4=CC(S(=O)(=O)O)=CC=C4)=O)[C@H](C)C3)[H])(CCC=5[C@]2(C)C=CC(=O)C5)[H].[Na]
Canonical SMILES
[Na].O=C1C=CC2(C(=C1)CCC3C4CC(C)C(C(=O)COC(=O)C5=CC=CC(=C5)S(=O)(=O)O)C4(C)CC(O)C32F)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16α)-
