ERGOSTA-7-25-DIEN-3-BETA-OL,(24R/BETA)

Structure

2D structure of ERGOSTA-7-25-DIEN-3-BETA-OL,(24R/BETA)
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

ERGOSTA-7-25-DIEN-3-BETA-OL,(24R/BETA)

IUPAC name

(3S,5R,6R,9S,10R,13R,14R,17R)-17-((2R,5R)-5,6-dimethylhept-6-en-2-yl)-10,13-dimethyl-1,2,3,4,6,9,10,11,12,13,14,15,16,17-tetradecahydro-5H-cyclopenta[a]phenanthrene-3,5,6-triol

SMILES

C[C@H](CC[C@@H](C)C(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C

General information

Molecular formula

C28H46O3

Molecular weight

430.67 g/mol

Monoisotopic mass

430.3447 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 -
Akihisa, T., Kimura, Y., Kokke, W.C.M.C., Itoh, T., Tamura, T. (1996). Eight novel sterols from the roots of Bryonia dioica jacq. Chem Pharm Bull, 44(6), 1202-1207 doi:10.1248/cpb.44.1202