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Substance Name: Lup-20(29)-en-28-oic-3-O-beta-glucopyranosyl(2-1)-O-beta-glucopyranoside
RN: 135757-66-3
InChIKey: ANDZVSZQVVZFCT-QQIJCRMXSA-N

Note

  • Betulinic acid glycoside from Schefflera venulosa.

Molecular Formula

  • C42-H68-O13

Molecular Weight

  • 780.986
 
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Names and Synonyms

Name of Substance

  • Lup-20(29)-en-28-oic-3-O-beta-glucopyranosyl(2-1)-O-beta-glucopyranoside

Synonyms

  • (3beta)-3-((2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)lup-20(29)-en-28-oic acid
  • 3-((2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)lup-20(29)-en-28-oic acid (3beta)-
  • LupGG

Systematic Name

  • Lup-20(29)-en-28-oic acid, 3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 135757-66-3

System Generated Number

  • 0135757663

Structure Descriptors

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

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@H](C(=C)C)[C@H]5[C@H]4CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@H](O)[C@H](O1)CO