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Substance Name: Glycyrrhizin sulfate
RN: 111196-54-4
InChIKey: BEXVMDYLGCQWOP-UHFFFAOYSA-N

Molecular Formula

  • C42-H62-O31-S5.8H3-N

Molecular Weight

  • 1359.5
 
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Names and Synonyms

Name of Substance

  • Glycyrrhizin sulfate

Systematic Name

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-(2,3,4-tri-O-sulfo-beta-D-glucopyranuronosyl)-, bis(hydrogen sulfate), octaammonium salt

Registry Numbers

CAS Registry Number

  • 111196-54-4

System Generated Number

  • 0111196544

Molecular Formulas

Molecular Formula

  • C42-H62-O31-S5.8H3-N

Molecular Formula Fragments

  • C42-H62-O31-S5
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C42H62O31S5.8H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(48)49)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)65-34-29(25(71-76(56,57)58)23(69-74(50,51)52)27(66-34)32(44)45)68-35-30(73-78(62,63)64)26(72-77(59,60)61)24(70-75(53,54)55)28(67-35)33(46)47;;;;;;;;/h16,19,21-31,34-35H,8-15,17H2,1-7H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);8*1H3

InChIKey

BEXVMDYLGCQWOP-UHFFFAOYSA-N

Smiles

O(S(=O)(O)=O)[C@@H]1[C@@H](OS(O)(=O)=O)[C@@H](OS(=O)(O)=O)[C@@H](O[C@@H]2[C@@H](O[C@@H]3C([C@@H]4CC[C@@]5([C@@H]([C@@]4(CC3)C)C(C=C3[C@@H]4C[C@@](CC[C@@]4(C)CC[C@@]53C)(C)C(O)=O)=O)C)(C)C)O[C@@H](C(=O)O)[C@@H](OS(O)(=O)=O)[C@@H]2OS(O)(=O)=O)O[C@@H]1C(O)=O.N.N.N.N.N.N.N.N