ERGOSTA-4-6-8(14)-22-TETRAEN-3-ONE

Structure

2D structure of ERGOSTA-4-6-8(14)-22-TETRAEN-3-ONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6441416

Names and identifiers

Name

ERGOSTA-4-6-8(14)-22-TETRAEN-3-ONE

IUPAC name

(9R,10R,13R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,9,10,11,12,13,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C

General information

Molecular formula

C28H40O

Molecular weight

392.63 g/mol

Monoisotopic mass

392.3079 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum aerial parts -
Davis, N.D., Cole, R.J., Dorner, J.W., Weete, J.D., Backman, P.A., Clark, E.M., King, C.C., Schmidt, S.P., Diener, U.L. (1986). Steroid metabolites of Acremonium coenophialum, an endophyte of tall fescue. J Agr Food Chem, 34(1), 108-112 doi:10.1021/jf00067a029