18α-Glycyrrhizic acid

CAS Registry Number®

83896-44-0

CAS Name

18α-Glycyrrhizic acid

Molecular Formula

C42H62O16

Molecular Mass

822.93

Cite this Page

18α-Glycyrrhizic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83896-44-0 (retrieved 2024-11-22) (CAS RN: 83896-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H62O16/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)/t19-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35+,38-,39+,40+,41-,42-/m1/s1

InChIKey

InChIKey=LPLVUJXQOOQHMX-IOHDZAKGSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@@H]4[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(C(=O)C=C6[C@@]2(C)CC[C@]7(C)[C@@]6(C[C@](C(O)=O)(C)CC7)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2C(OC(C(=O)O)C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O

Other Names for this Substance

  • α-D-Glucopyranosiduronic acid, (3β,18α,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
  • (3β,18α,20β)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid
  • 18α-Glycyrrhizinic acid
  • 18α-Glycyrrhizin
  • α-Glycyrrhizin

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration