11(S),13-DIHYDROLACTUCIN

Structure

2D structure of 11(S),13-DIHYDROLACTUCIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 9970764

Names and identifiers

Name

11(S),13-DIHYDROLACTUCIN

Also reported as

11-BETA-13-DIHYDROLACTUCIN

IUPAC name

(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

SMILES

C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O

General information

Molecular formula

C15H18O5

Molecular weight

278.30 g/mol

Monoisotopic mass

278.1154 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Cichorium intybus L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypochaeris radicata L. - -
Sesquiterpenoids as chemosystematic markers in the subtribe Hypochaeridinae (Lactuceae, Asteraceae) doi:10.1016/j.bse.2005.08.001