beta-Estradiol 17-(beta-D-glucuronide) sodium salt
[CAS# 15087-02-2]

Identification

• Name: beta-Estradiol 17-(beta-D-glucuronide) sodium salt
• Synonyms: 1,3,5[10]-ESTRATRIENE-3,17β-DIOL17-GLUCURONIDESODIUMSALT
• Molecular Formula: C₂₄H₃₁NaO₈
• Molecular Weight: 470.49
• CAS Registry Number: 15087-02-2
• SMILES: C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O.[Na+]
• InChI: 1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1
• InChIKey: UQSHTUQZFYMYFO-VGYGJRAWSA-M

Properties

• Refractive index: (Cal.)