Sodium 17beta-Estradiol-2,4,16,16-D4 3-Sulfate
[CAS# 352431-50-6]

Identification

• Name: Sodium 17beta-Estradiol-2,4,16,16-D4 3-Sulfate
• Molecular Formula: C₁₈H₁₉D₄NaO₅S
• Molecular Weight: 378.45
• CAS Registry Number: 352431-50-6
• SMILES: c1([2H])cc2[C@H]3CC[C@]4([C@H]([C@@H]3CCc2c(c1OS(=O)(=O)[O-])[2H])CC([C@@H]4O)([2H])[2H])C.[Na+]
• InChI: 1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i3D,7D2,10D