GYPSOGENIC ACID

Structure

2D structure of GYPSOGENIC ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 15560324

Names and identifiers

Name

GYPSOGENIC ACID

IUPAC name

(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid

SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C(=O)O)O

General information

Molecular formula

C30H46O5

Molecular weight

486.69 g/mol

Monoisotopic mass

486.3345 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Saponaria officinalis L. root -
Bukharov, V.G., Shcherbak, S.P. (1969). Gypsogenic acid glycoside from Saponaria officinalis. Izv Akad Nauk Sssr Ser Khim, (1), 137-138