3-Hydroxy-17-oxoestra-1,3,5(10)-trien-16-yl hexopyranosiduronic acid
[CAS# 15270-34-5]

Identification

• Name: 3-Hydroxy-17-oxoestra-1,3,5(10)-trien-16-yl hexopyranosiduronic acid
• Synonyms: 16Α-HYDROXYESTRONE 16-Î’-D-GLUCURONIDE; 3-Hydroxy-17-oxoestra-1,3,5(10)-trien-16-yl hexopyranosiduronic acid; Estra-1,3,5(10)-trien-17-one, 16-(hexopyranuronosyloxy)-3-hydroxy-
• Molecular Formula: C₂₄H₃₀O₉
• Molecular Weight: 462.49
• CAS Registry Number: 15270-34-5
• SMILES: CC12CCC3c4ccc(cc4CCC3C1CC(C2=O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O
• InChI: 1S/C24H30O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)
• InChIKey: JLYJQBHANCHTOW-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 739.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 254.9±26.4°C (Cal.)
• Refractive index: 1.66 (Cal.)