CAMPESTEROL-3-O-BETA-(6-O-OLEYL)-GLUCOPYRANOSIDE

Structure

2D structure of CAMPESTEROL-3-O-BETA-(6-O-OLEYL)-GLUCOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

CAMPESTEROL-3-O-BETA-(6-O-OLEYL)-GLUCOPYRANOSIDE

IUPAC name

((2R,3S,4S,5R,6S)-6-(((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl oleate

SMILES

CC[C@H](C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(CCCCCCC\C(=C(/CCCCCCCC)[H])[H])=O)O)O)O)C)C)C(C)C

General information

Molecular formula

C53H90O7

Molecular weight

839.30 g/mol

Monoisotopic mass

838.6687 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Prunus persica (L.) Batsch seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.