(3beta,5alpha,17beta,22beta)-3-(beta-D-Glucopyranosyloxy)-Cevan-6-One
[CAS# 150134-44-4]

Identification

• Name: (3beta,5alpha,17beta,22beta)-3-(beta-D-Glucopyranosyloxy)-Cevan-6-One
• Molecular Formula: C₃₃H₅₃NO₇
• Molecular Weight: 575.78
• CAS Registry Number: 150134-44-4
• SMILES: [C@@H]1(CC[C@]5([C@H](C1)C(C[C@H]6[C@@H]4CC[C@H]3[C@@H](C)[C@@H]2CC[C@H](C)CN2C[C@H]3[C@@H]4C[C@H]56)=O)C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO
• InChI: 1S/C33H53NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-26,28-32,35,37-39H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,28+,29+,30-,31+,32+,33+/m0/s1
• InChIKey: BSSXNTZKMOAXRA-MXXYQIINSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 714.472°C at 760 mmHg (Cal.)
• Flash point: 385.899°C (Cal.)