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Substance Name: 11,13-Diene-20CH2OH-glycyrrhizin
RN: 134250-14-9
InChIKey: VTBCKLZGHRRDFA-ARLZBQDQSA-N

Molecular Formula

  • C42-H68-O12

Molecular Weight

  • 764.9872
 
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Names and Synonyms

Results Name

  • 11,13-Diene-20CH2OH-glycyrrhizin

Synonyms

  • 11,13diene-20CH2OH-Glycyrrhizin
  • Olean-11,13(18)-diene-3beta,30-diol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside

Systematic Name

  • beta-D-Glucopyranoside, (3b,20b)-29-hydroxyoleana-11,13(18)-dien-3-yl 2-O-beta-D-glucopyranosyl-

Registry Numbers

CAS Registry Number

  • 134250-14-9

System Generated Number

  • 0134250149

Structure Descriptors

InChI

1S/C42H68O12/c1-37(2)26-10-13-42(7)27(9-8-22-23-18-38(3,21-45)14-15-39(23,4)16-17-41(22,42)6)40(26,5)12-11-28(37)53-36-34(32(49)30(47)25(20-44)52-36)54-35-33(50)31(48)29(46)24(19-43)51-35/h8-9,24-36,43-50H,10-21H2,1-7H3/t24-,25-,26+,27?,28+,29-,30-,31+,32+,33-,34-,35+,36-,38+,39-,40+,41-,42-/m1/s1

InChIKey

VTBCKLZGHRRDFA-ARLZBQDQSA-N

Smiles

C[C@]12CC[C@](CC1=C3C=CC4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)CO