LOGANIC ACID,8-EPI: 7-O-PARA-HYDROXY-BENZOYL

Structure

2D structure of LOGANIC ACID,8-EPI: 7-O-PARA-HYDROXY-BENZOYL
2D structure
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3D model

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

Names and identifiers

Name

LOGANIC ACID,8-EPI: 7-O-PARA-HYDROXY-BENZOYL

IUPAC name

(1S,2S,7R)-2-((4-hydroxybenzoyl)oxy)-1-methyl-7-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid

SMILES

C1(=CC[C@H](C2C1C[C@@H]([C@H]2C)OC(C3=CC=C(C=C3)O)=O)OC4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)C(=O)O

General information

Molecular formula

C24H30O11

Molecular weight

494.49 g/mol

Monoisotopic mass

494.1788 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Veronica anagallis-aquatica L. subsp. anagallis-aquatica aerial parts -
Lahloub, M.F., Zaghloul, M.G., Afifi, M.S., Sticher, O. (1993). Iridoid glucosides from Veronica anagallis-aquatica. Phytochemistry, 33(2), 401-405 doi:10.1016/0031-9422(93)85528-y