(11beta)-11,17-Dihydroxy-21-(Sulfooxy)-Pregna-1,4-Diene-3,20-Dione Sodium Salt (1:1)
[CAS# 3664-95-7]

Identification

• Name: (11beta)-11,17-Dihydroxy-21-(Sulfooxy)-Pregna-1,4-Diene-3,20-Dione Sodium Salt (1:1)
• Synonyms: Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, monosodium salt, (11β)-
• Molecular Formula: C₂₁H₂₈NaO₈S
• Molecular Weight: 463.50
• CAS Registry Number: 3664-95-7
• EINECS: 222-925-0
• SMILES: [Na+].OS(=O)(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4[C@@H](O)C[C@]23C
• InChI: 1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H,26,27,28);/q;+1/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
• InChIKey: LTWZNVWFOGRESW-WDCKKOMHSA-N