Estrone beta-D-Glucuronide Sodium Salt
[CAS# 15087-01-1]

Identification

• Name: Estrone beta-D-Glucuronide Sodium Salt
• Synonyms: 1,3,5(10)-Estratrien-17-one 3-glucuronide sodium salt; Estrone 3-(β-D-glucuronide) sodium salt; E1752_SIGMA
• Molecular Formula: C₂₄H₂₉NaO₈
• Molecular Weight: 468.47
• CAS Registry Number: 15087-01-1
• SMILES: [Na+].[O-]C(=O)[C@H]5O[C@@H](Oc1ccc3c(c1)CC[C@H]4[C@H]2[C@](C(=O)CC2)(C)CC[C@H]34)[C@H](O)[C@@H](O)[C@@H]5O
• InChI: 1S/C24H30O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,18+,19+,20-,21+,23-,24+;/m1./s1
• InChIKey: PBULYLQKWDXDFZ-QHIGSJCSSA-M

Properties

• Boiling point: 703.8°C at 760 mmHg (Cal.)
• Flash point: 242.9°C (Cal.)
• Refractive index: (Cal.)