ELATERINIDE

Structure

2D structure of ELATERINIDE
2D structure
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3D model

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

Names and identifiers

Name

ELATERINIDE

IUPAC name

(E)-6-hydroxy-6-(16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl acetate

SMILES

CC(=O)OC(C)(C)\C(=C(\C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)C)C)C)O)O)[H])[H]

General information

Molecular formula

C38H54O13

Molecular weight

718.84 g/mol

Monoisotopic mass

718.3564 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Bryonia dioica Jacq. root -
Ripperger, H. (1976). Isolation and structure of cucurbitacins from Bryonia dioica. Tetrahedron, 32, 1567 doi:10.1002/chin.197646317