IXERIN F

Structure

2D structure of IXERIN F
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21636023

Names and identifiers

Name

IXERIN F

IUPAC name

(3S,3aS,5R,6aR,8S,9aR,9bS)-5-hydroxy-3-methyl-6,9-dimethylene-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

C[C@H]1[C@@H]2C[C@H](C(=C)[C@@H]3C[C@@H](C(=C)[C@@H]3[C@H]2OC1=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

General information

Molecular formula

C21H30O9

Molecular weight

426.46 g/mol

Monoisotopic mass

426.1890 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Crepis foetida L. subsp. foetida root -
Kisiel, W., Barszcz, B. (1999). Sesquiterpenoids and phenolics from roots of Crepis foetida. Pol J Chem, 73(3), 569-571 doi:10.1002/chin.199927201
Crepis setosa Haller f. root -
Kisiel, W., Kohlmunzer, S. (1991). Sesquiterpene lactones from Crepis setosa Hall. Acta Soc Bot Pol, 59(1/4), 81-85
Hypochaeris radicata L. - -
Sesquiterpenoids as chemosystematic markers in the subtribe Hypochaeridinae (Lactuceae, Asteraceae) doi:10.1016/j.bse.2005.08.001
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