ISOXANTHANOL

Structure

2D structure of ISOXANTHANOL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162867364

Names and identifiers

Name

ISOXANTHANOL

IUPAC name

(2R,4S)-4-hydroxy-4-((3aR,7S,8aS)-7-methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)butan-2-yl acetate

SMILES

[C@@H]1(C[C@H]2[C@H](CC=C1[C@H](C[C@@H](C)OC(C)=O)O)C(C(=O)O2)=C)C

General information

Molecular formula

C17H24O5

Molecular weight

308.37 g/mol

Monoisotopic mass

308.1624 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Xanthium italicum Moretti leaf -
Tsankova, E.T., Trendafilova, A.B., Kujumgiev, A.I., Galaboy, A.S., Robeva, P.R. (1994). Xantholides of Xanthium italicum Moretti and their biological actvity. Z Naturforsch Ser C, 49(1/2), 154-155 doi:10.1515/znc-1994-1-223