BRYODULCOSIGENIN

Structure

2D structure of BRYODULCOSIGENIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 399493

Names and identifiers

Name

BRYODULCOSIGENIN

IUPAC name

(3S,8S,9R,10R,13R,14S,17R)-17-((2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,4,7,8,9,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one

SMILES

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

General information

Molecular formula

C30H50O4

Molecular weight

474.73 g/mol

Monoisotopic mass

474.3709 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 -
Tunmann, P., Stapel, G. (1964). Constituents of Bryonia dioica root. 6. constitution of bryodulcosigenin. Tetrahedron Lett, 2521-2523