Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1

InChIKey

InChIKey=OSRIFBQRTILKCH-WTCAIEHQSA-N

Formula

C37H55F3N2O3S

Mass

664.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Quinone and hydroquinone lipids

Intermediate Tree Nodes

Vitamin E compounds

Direct Parent

Tocopherols

Alternative Parents

Molecular Framework

Not available

Substituents

Tocopherol - Diterpenoid - Chromane - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Trihalomethane - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Primary amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Halomethane - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.

External Descriptors

Not available

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