CUCURBITACIN D,23-24-DIHYDRO

Structure

2D structure of CUCURBITACIN D,23-24-DIHYDRO
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 180535

Names and identifiers

Name

CUCURBITACIN D,23-24-DIHYDRO

IUPAC name

(2S,8S,9R,10R,13R,14S,16R,17R)-17-((R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-1,4,7,8,9,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,11(2H)-dione

SMILES

C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O

General information

Molecular formula

C30H46O7

Molecular weight

518.69 g/mol

Monoisotopic mass

518.3244 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Bryonia dioica Jacq. root -
Baek, N.I., Lee, D.W., Lee, Y.H., Kimsi, Aprikian, G.V. (1995). Cytotoxic constituents from the roots of Bryonia alba L. Nat Prod Sci, 1(1), 43-49