PHYTOSTERYL-6-O-ACYL-BETA-D-GLUCOPYRANOSIDE

Structure

2D structure of PHYTOSTERYL-6-O-ACYL-BETA-D-GLUCOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

PHYTOSTERYL-6-O-ACYL-BETA-D-GLUCOPYRANOSIDE

IUPAC name

6-((17-(5-ethyl-6-methylheptan-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)methyl)-5-hydroxy-2-((palmitoyloxy)methyl)tetrahydro-2H-pyran-3,4-diyl diacetate

SMILES

C4C1(C(=CCC2C1CCC3(C2CCC3C(CCC(C(C)C)CC)C)C)CC(C4)CC5C(C(C(C(COC(=O)CCCCCCCCCCCCCCC)O5)OC(C)=O)OC(C)=O)O)C

General information

Molecular formula

C56H96O8

Molecular weight

897.38 g/mol

Monoisotopic mass

896.7105 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Triticum aestivum L. subsp. aestivum seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.