CREPIDIASIDE A

Structure

2D structure of CREPIDIASIDE A
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13855728

Names and identifiers

Name

CREPIDIASIDE A

IUPAC name

(3aS,9aS,9bS)-6-methyl-3-methylene-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

SMILES

CC1=C2[C@@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C(=CC2=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

General information

Molecular formula

C21H26O9

Molecular weight

422.43 g/mol

Monoisotopic mass

422.1577 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Picris hieracioides L. subsp. hieracioides - -
Nishimura, K., Miyase, T., Ueno, A., Noro, T., Kuroyanagi, M., Fukushima, S. (1986). Sesquiterpene lactones from Picris hieracioides L. var. japonica Regel. I. Chem Pharm Bull, 34(6), 2518-2521 doi:10.1248/cpb.34.2518