CROCETIN-DI-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOSYL)-ESTER

Structure

2D structure of CROCETIN-DI-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOSYL)-ESTER
2D structure
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3D model

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

Names and identifiers

Name

CROCETIN-DI-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOSYL)-ESTER

IUPAC name

(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-(((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexadeca-2,4,6,8,10,12,14-heptaenoic acid

SMILES

CC(=C(\C(=C(\C(=C(C)\C(=C(\C(=C(/C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)[H])[H])[H])[H])[H])[H])[H])/C(=C(/C(=C(\C)C(=O)O)[H])[H])[H]

General information

Molecular formula

C34H42O13

Molecular weight

658.70 g/mol

Monoisotopic mass

658.2625 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Crocus vernus (L.) Hill flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.