(8alpha,9beta,14beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl D-glucopyranoside
[CAS# 88158-44-5]

Identification

• Name: (8alpha,9beta,14beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl D-glucopyranoside
• Synonyms: Prednisolone 21-glucoside; Prednisolone 21β-D-glucoside
• Molecular Formula: C₂₇H₃₈O₁₀
• Molecular Weight: 522.58
• CAS Registry Number: 88158-44-5
• SMILES: O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]5[C@H]2C(O)C[C@@]4(C)[C@@H]5CC[C@]4(O)C(=O)COC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C
• InChI: 1S/C27H38O10/c1-25-7-5-14(29)9-13(25)3-4-15-16-6-8-27(35,26(16,2)10-17(30)20(15)25)19(31)12-36-24-23(34)22(33)21(32)18(11-28)37-24/h5,7,9,15-18,20-24,28,30,32-35H,3-4,6,8,10-12H2,1-2H3/t15-,16-,17?,18-,20+,21-,22+,23-,24?,25+,26+,27+/m1/s1
• InChIKey: NGBXJGQRGMDPJB-DIHATNQGSA-N

Properties

• Density: 1.454g/cm³ (Cal.)
• Boiling point: 784.809°C at 760 mmHg (Cal.)
• Flash point: 260.974°C (Cal.)