(3beta)-17-Oxoandrost-5-En-3-Yl D-Glucopyranuronate
[CAS# 5716-14-3]

Identification

• Name: (3beta)-17-Oxoandrost-5-En-3-Yl D-Glucopyranuronate
• Synonyms: 3β-HYDROXY-5-ANDROSTEN-17-ONE3-GLUCURONIDE
• Molecular Formula: C₂₅H₃₆O₈
• Molecular Weight: 464.55
• CAS Registry Number: 5716-14-3
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)[C@@H]5[C@H]([C@@H]([C@H](C(O5)O)O)O)O)C
• InChI: 1S/C25H36O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-22,27-30H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-,20+,21-,22?,24-,25-/m0/s1
• InChIKey: OQHLICVWICTZAI-LTRKXMFVSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 624.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 208.1±25.0°C (Cal.)