ERGOSTA-6-22-DIEN-3-BETA-OL,5-ALPHA-8-ALPHA-EPI-DIOXY

Structure

2D structure of ERGOSTA-6-22-DIEN-3-BETA-OL,5-ALPHA-8-ALPHA-EPI-DIOXY
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5351516

Names and identifiers

Name

ERGOSTA-6-22-DIEN-3-BETA-OL,5-ALPHA-8-ALPHA-EPI-DIOXY

Also reported as

ERGOSTEROL PEROXIDE

IUPAC name

(3S,5S,8S,9R,10R,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol

SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C

General information

Molecular formula

C28H44O3

Molecular weight

428.66 g/mol

Monoisotopic mass

428.3290 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
Typha latifolia L. - -
Dellagreca, M., Mangoni, L., Molinaro, A., Monaco, P., Previtera, L. (1990). 5-beta,8-beta-epidioxyergosta-6,22-dien-3-beta-ol from Typha latifolia. Gazz Chim Ital, 120(6), 391-392