(3alpha,5alpha)-11,17-Dioxoandrostan-3-yl beta-D-glucopyranosiduronic acid
[CAS# 29085-98-1]

Identification

• Name: (3alpha,5alpha)-11,17-Dioxoandrostan-3-yl beta-D-glucopyranosiduronic acid
• Molecular Formula: C₂₅H₃₆O₉
• Molecular Weight: 480.55
• CAS Registry Number: 29085-98-1
• SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
• InChI: 1S/C25H36O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-14,17-21,23,28-30H,3-10H2,1-2H3,(H,31,32)/t11-,12+,13-,14-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1
• InChIKey: QTXWOOLAHRQMGZ-QASSVKNGSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 694.471°C at 760 mmHg (Cal.)
• Flash point: 233.707°C (Cal.)
• Refractive index: 1.599 (Cal.)