3-O-(beta-D-Glucopyranosyl(1-2)beta-D-Glucopyranosyl)-2alpha,3beta-Dihydroxylup-20(29)-Ene
[CAS# 140231-39-6]

Identification

• Name: 3-O-(beta-D-Glucopyranosyl(1-2)beta-D-Glucopyranosyl)-2alpha,3beta-Dihydroxylup-20(29)-Ene
• Synonyms: Leucasin; Beta-D-Glucopyranoside, (2Alpha,3Beta)-2-Hydroxylup-20(29)-3-Yl 2-O-Beta-D-Glucopyranosyl-
• Molecular Formula: C₄₂H₇₀O₁₂
• Molecular Weight: 767.01
• CAS Registry Number: 140231-39-6
• SMILES: [C@H]7(OC1C(C[C@]4([C@H](C1(C)C)CC[C@@]5(C)[C@]3(C)CC[C@@]2(C)CC[C@@H](C(=C)C)[C@@H]2[C@H]3CCC45)C)O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)[C@@H](O)[C@H](O)[C@H](O7)CO
• InChI: 1S/C42H70O12/c1-20(2)21-11-13-39(5)15-16-41(7)22(28(21)39)9-10-27-40(6)17-23(45)35(38(3,4)26(40)12-14-42(27,41)8)54-37-34(32(49)30(47)25(19-44)52-37)53-36-33(50)31(48)29(46)24(18-43)51-36/h21-37,43-50H,1,9-19H2,2-8H3/t21-,22+,23?,24+,25+,26-,27?,28+,29+,30+,31-,32-,33+,34+,35?,36-,37-,39+,40-,41+,42+/m0/s1
• InChIKey: HJPIQGMZMGIUBT-OIISAJIDSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 850.522°C at 760 mmHg (Cal.)
• Flash point: 468.179°C (Cal.)