GLYCYRRHETIC ACID,18-BETA

Structure

2D structure of GLYCYRRHETIC ACID,18-BETA
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10114

Names and identifiers

Name

GLYCYRRHETIC ACID,18-BETA

IUPAC name

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

SMILES

C1[C@]2([C@H](C([C@H](C1)O)(C)C)CC[C@@]3([C@@H]2C(C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(O)=O)C)C)=O)C)C

General information

Molecular formula

C30H46O4

Molecular weight

470.69 g/mol

Monoisotopic mass

470.3396 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Astragalus glycyphyllos L. aerial parts -
Elenga, P.A., Nikolov, S., Topalova, I., Panova, D. (1987). Investigation of the overground parts of Astragalus glycphyllos L. for glycyrrhetic acid content. Fecs Int Conf Chem Biotechnol Biol Act Nat Prod, Proc 3Rd 1985, (4), 281-285