ROTUNDIFOLINE

Structure

2D structure of ROTUNDIFOLINE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101542614

Names and identifiers

Name

ROTUNDIFOLINE

IUPAC name

((2R,3S,4S,5R)-3,4,5-trihydroxy-6-(((2S,E)-4-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

SMILES

CC1=CC(=O)CC(C1(/C=C/[C@H](C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C(=C/CCC(C)(C=C)O)/C)O)O)O)O)(C)C

General information

Molecular formula

C29H44O10

Molecular weight

552.66 g/mol

Monoisotopic mass

552.2934 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Mentha spicata L. - -
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
Mentha suaveolens Ehrh. subsp. suaveolens - -
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.