Glycyrrhetic acid 3-O-glucuronide

CAS Registry Number®

34096-83-8
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CAS Name

Glycyrrhetic acid 3-O-glucuronide

Molecular Formula

C36H54O10

Molecular Mass

646.81

Cite this Page

Glycyrrhetic acid 3-O-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=34096-83-8 (retrieved 2024-05-05) (CAS RN: 34096-83-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=HLDYLAJAWSKPFZ-QDPIGISRSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC(=O)[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4C(=O)C=C5C6CC(C(=O)O)(C)CCC6(C)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl
  • Olean-12-en-30-oic acid, 3β-(β-D-glucopyranuronosyloxy)-11-oxo-
  • 30-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β,20β)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl β-D-glucopyranosiduronic acid
  • Glycyrrhetic acid 3-O-glucuronide

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Deleted or Replaced CAS Registry Numbers

127291-10-5, 147218-57-3, 165392-12-1

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