(3beta,4beta,5beta,6alpha)-6-Chloro-4,5-Epoxystigmastan-3-Yl beta-D-Glucopyranoside
[CAS# 149864-63-1]

Identification

• Name: (3beta,4beta,5beta,6alpha)-6-Chloro-4,5-Epoxystigmastan-3-Yl beta-D-Glucopyranoside
• Synonyms: Blattellastanoside A
• Molecular Formula: C₃₅H₅₉ClO₇
• Molecular Weight: 627.30
• CAS Registry Number: 149864-63-1
• SMILES: [C@H]6(OC1CC[C@]4(C2(C1O2)[C@@H](CC5C3CC[C@H]([C@@H](CC[C@@H](CC)C(C)C)C)[C@@]3(C)CCC45)Cl)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O6)CO
• InChI: 1S/C35H59ClO7/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-21-16-27(36)35-31(43-35)25(13-15-34(35,6)24(21)12-14-33(22,23)5)41-32-30(40)29(39)28(38)26(17-37)42-32/h18-32,37-40H,7-17H2,1-6H3/t19-,20-,21?,22-,23?,24?,25?,26-,27-,28+,29+,30-,31?,32-,33-,34-,35?/m1/s1
• InChIKey: HAAIKLIMLBUYHH-YRIMARDTSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 715.665°C at 760 mmHg (Cal.)
• Flash point: 386.621°C (Cal.)