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Substance Name: Monopotassium glycyrrhizin
RN: 42294-03-1
UNII: T8XVV1JDN8
InChIKey: YLSUMFQEBHBMQB-OOFFSTKBSA-M

Molecular Formula

  • C42-H62-O16.K

Molecular Weight

  • 861.026
 
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Names and Synonyms

Results Name

  • Monopotassium glycyrrhizin

Name of Substance

  • Monopotassium glycyrrhizinate

Synonyms

  • EINECS 255-754-5
  • Monopotassium glycyrrhizin
  • UNII-T8XVV1JDN8

Systematic Name

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, monopotassium salt

Registry Numbers

CAS Registry Number

  • 42294-03-1

FDA UNII

  • T8XVV1JDN8

System Generated Number

  • 0042294031

Molecular Formulas

Molecular Formula

  • C42-H62-O16.K

Molecular Formula Fragments

  • C42-H62-O16
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C42H62O16.K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);/q;+1/p-1/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1

InChIKey

YLSUMFQEBHBMQB-OOFFSTKBSA-M

Smiles

C1[C@](C[C@H]2C=3[C@](CC[C@@]2(C)C1)(C)[C@@]1([C@@H]([C@@]2([C@@H](CC1)C([C@H](CC2)O[C@H]1O[C@H](C([O-])=O)[C@@H](O)[C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)O)(C)C)C)C(C3)=O)C)(C)C(O)=O.[K+]