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Substance Name: Glycyrrhetyl 3-monoglucuronide
RN: 34096-83-8
InChIKey: HLDYLAJAWSKPFZ-QDPIGISRSA-N

Molecular Formula

  • C36-H54-O10

Molecular Weight

  • 646.813
 
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Names and Synonyms

Name of Substance

  • Glycyrrhetyl 3-monoglucuronide

Synonyms

  • 1-(18beta-Glycyrrhet-3-yl)glucopyranuronic acid
  • 3-(Monoglucuron-1'-yl)-18-glycyrrhetic acid
  • 3-MGA
  • 3-Monoglucuronyl-glycyrrhetinic acid
  • 3beta-D-(Monoglucuronyl)-18beta-glycyrrhetinic acid
  • Glycyrrhetic acid 3-O-beta-D-monoglucuronide
  • Glycyrrhetic acid-3-O-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl

Registry Numbers

CAS Registry Number

  • 34096-83-8

System Generated Number

  • 0034096838

Structure Descriptors

InChI

1S/C36H54O10/c1-31(2)21-8-11-36(7)27(34(21,5)10-9-22(31)45-29-25(40)23(38)24(39)26(46-29)28(41)42)20(37)16-18-19-17-33(4,30(43)44)13-12-32(19,3)14-15-35(18,36)6/h16,19,21-27,29,38-40H,8-15,17H2,1-7H3,(H,41,42)(H,43,44)/t19-,21-,22-,23-,24-,25+,26-,27+,29+,32+,33-,34-,35+,36+/m0/s1

InChIKey

HLDYLAJAWSKPFZ-QDPIGISRSA-N

Smiles

O1[C@@H](O[C@@H]2C([C@@H]3CC[C@@]4([C@@]5(CC[C@@]6([C@H](C5=CC(=O)[C@H]4[C@@]3(CC2)C)C[C@@](CC6)(C(O)=O)C)C)C)C)(C)C)[C@@H]([C@H]([C@@H]([C@H]1C(O)=O)O)O)O