CYCLOART-TRANS-23-ENE-3-BETA-25-DIOL-3-ACETATE

Structure

2D structure of CYCLOART-TRANS-23-ENE-3-BETA-25-DIOL-3-ACETATE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14314567

Names and identifiers

Name

CYCLOART-TRANS-23-ENE-3-BETA-25-DIOL-3-ACETATE

IUPAC name

(2aR,3R,5aS,5bS,7aR,9S,11aR,12aS)-3-((R)-6-hydroxy-6-methylheptan-2-yl)-2a,5a,8,8-tetramethyltetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl acetate

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)C)C

General information

Molecular formula

C32H54O3

Molecular weight

486.78 g/mol

Monoisotopic mass

486.4073 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. aerial parts -
Akihisa, T., Kimura, Y., Koike, K., Kokke, W.C.M.C., Nikaido, T., Tamura, T. (1998). Cycloartane triterpenoids from the aerial part of Bryonia dioica. Phytochemistry, 49(6), 1757-1760 doi:10.1016/s0031-9422(98)00287-8