Sodium 17-Oxoestra-1,3,5(10),8-Tetraen-3-Yl Sulfate
[CAS# 61612-83-7]

Identification

• Name: Sodium 17-Oxoestra-1,3,5(10),8-Tetraen-3-Yl Sulfate
• Synonyms: ∆8,9-Dehydro Estrone 3-Sulfate Sodium Salt
• Molecular Formula: C₁₈H₁₉NaO₅S
• Molecular Weight: 370.40
• CAS Registry Number: 61612-83-7
• SMILES: C[C@]12CCC3=C([C@@H]1CCC2=O)CCc4c3ccc(c4)OS(=O)(=O)O[Na]
• InChI: 1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t16-,18-;/m0./s1
• InChIKey: LLUMKBPKZHXWDL-AKXYIILFSA-M