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Substance Name: Ammoniated glycyrrhizin
RN: 68083-53-4
InChIKey: VGYQVMWYFPOAAE-DWJAGBRCSA-N

Molecular Formula

  • C42-H62-O16.3H3-N

Molecular Weight

  • 874.028
 
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Names and Synonyms

Results Name

  • Ammoniated glycyrrhizin

Synonyms

  • EINECS 268-402-0
  • Glycyrrhizin, ammoniated

Systematic Names

  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, ammonium salt (1:3)
  • alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, triammonium salt

Registry Numbers

CAS Registry Number

  • 68083-53-4

Other Registry Numbers

  • 1208243-78-0
  • 79165-13-2
  • 88306-39-2

System Generated Number

  • 0068083534

Molecular Formulas

Molecular Formula

  • C42-H62-O16.3H3-N

Molecular Formula Fragments

  • C42-H62-O16
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C42H62O16.3H3N/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);3*1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;/m0.../s1

InChIKey

VGYQVMWYFPOAAE-DWJAGBRCSA-N

Smiles

O1[C@@H](O[C@H]2[C@@H](O[C@@H]3C([C@@H]4CC[C@@]5([C@@]6(CC[C@@]7(CC[C@](C[C@@H]7C6=CC(=O)[C@H]5[C@@]4(CC3)C)(C)C(O)=O)C)C)C)(C)C)O[C@H](C(O)=O)[C@H]([C@@H]2O)O)[C@@H]([C@@H](O)[C@@H](O)[C@H]1C(=O)O)O.N.N.N