CREPISIDE E

Structure

2D structure of CREPISIDE E
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 9845240

Names and identifiers

Name

CREPISIDE E

IUPAC name

(3aR,4S,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylene-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)decahydroazuleno[4,5-b]furan-2(3H)-one

SMILES

O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1O[C@H](C([C@]2([H])[C@@]([C@]([C@@H](O)C3)([H])C4=C)([H])OC4=O)=C)C[C@@]2([H])C3=C

General information

Molecular formula

C21H28O9

Molecular weight

424.45 g/mol

Monoisotopic mass

424.1733 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Lapsana communis L. subsp. communis exudate -
Fontanel, D., Galtier, C., Debouzy, J.C., Gueiffier, A., Viel, C. (1999). Sesquiterpene lactone glycosides from Lapsana communis L. subsp.communis. Phytochemistry, 51(8), 999-1004 doi:10.1016/s0031-9422(98)00718-3