17-Ethynyl-17-hydroxyestra-1,3,5(10)-trien-3-yl hexopyranosiduronic acid
[CAS# 60134-76-1]

Identification

• Name: 17-Ethynyl-17-hydroxyestra-1,3,5(10)-trien-3-yl hexopyranosiduronic acid
• Synonyms: 17-Ethynyl-17-hydroxyestra-1,3,5(10)-trien-3-yl hexopyranosiduronic acid; ETHYNYL ESTRADIOL 3-Î’-D-GLUCURONIDE; Hexopyranosiduronic acid, 17-ethynyl-17-hydroxyestra-1,3,5(10)-trien-3-yl
• Molecular Formula: C₂₆H₃₂O₈
• Molecular Weight: 472.53
• CAS Registry Number: 60134-76-1
• SMILES: CC12CCC3c4ccc(cc4CCC3C1CCC2(C#C)O)OC5C(C(C(C(O5)C(=O)O)O)O)O
• InChI: 1S/C26H32O8/c1-3-26(32)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-25(18,26)2)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h1,5,7,12,16-22,24,27-29,32H,4,6,8-11H2,2H3,(H,30,31)
• InChIKey: DYBBEZHAELJFKW-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 705.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 238.8±26.4°C (Cal.)