(3beta)-3-((2-O-beta-D-Glucopyranosyl-beta-D-Glucopyranosyl)Oxy)Lup-20(29)-En-28-Oic Acid
[CAS# 135757-66-3]

Identification

• Name: (3beta)-3-((2-O-beta-D-Glucopyranosyl-beta-D-Glucopyranosyl)Oxy)Lup-20(29)-En-28-Oic Acid
• Synonyms: Lup-20(29)-En-28-Oic Acid, 3-((2-O-Beta-D-Glucopyranosyl-Beta-D-Glucopyranosyl)Oxy)-, (3Beta)-; Lup-20(29)-En-28-Oic-3-O-Beta-Glucopyranosyl(2-1)-O-Beta-Glucopyranoside; Lupgg
• Molecular Formula: C₄₂H₆₈O₁₃
• Molecular Weight: 780.99
• CAS Registry Number: 135757-66-3
• SMILES: [C@@]57([C@]4([C@@H]([C@]3(CC[C@H](O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)O)O)C([C@@H]3CC4)(C)C)C)CC[C@@H]5[C@H]6[C@@H](CC[C@@]6(CC7)C(=O)O)C(=C)C)C)C
• InChI: 1S/C42H68O13/c1-20(2)21-10-15-42(37(50)51)17-16-40(6)22(28(21)42)8-9-26-39(5)13-12-27(38(3,4)25(39)11-14-41(26,40)7)54-36-34(32(48)30(46)24(19-44)53-36)55-35-33(49)31(47)29(45)23(18-43)52-35/h21-36,43-49H,1,8-19H2,2-7H3,(H,50,51)/t21-,22+,23+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
• InChIKey: ANDZVSZQVVZFCT-QQIJCRMXSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 880.445°C at 760 mmHg (Cal.)
• Flash point: 258.334°C (Cal.)