HYPOCHOEROSIDE J

Structure

2D structure of HYPOCHOEROSIDE J
2D structure
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3D model

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

Names and identifiers

Name

HYPOCHOEROSIDE J

IUPAC name

3-((2R,4aR,5R,8aS)-4a,8a-dimethyl-7,8-dimethylene-5-(((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)decahydronaphthalen-2-yl)but-3-enoic acid

SMILES

[C@@H]1([C@]2([C@](C(C(C1)=C)=C)(C[C@@H](CC2)C(=C)CC(=O)O)C)C)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](CO)O3)O)O)O

General information

Molecular formula

C24H36O8

Molecular weight

452.54 g/mol

Monoisotopic mass

452.2410 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Hypochaeris radicata L. - -
Sesquiterpenoids as chemosystematic markers in the subtribe Hypochaeridinae (Lactuceae, Asteraceae) doi:10.1016/j.bse.2005.08.001