Structure Information
Structure

Compound Identification

SMILES

CCCCCC[C@H]1CCC[C@H](OCO1)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)OC(=O)[C@](OC)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=PZUQPQRVFUKUII-QEOIAFPOSA-N

Formula

C48H73F3O9

Mass

851.098

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty alcohols

Intermediate Tree Nodes

Not available

Direct Parent

Annonaceous acetogenins

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Annonaceae acetogenin skeleton - Benzylether - Monocyclic benzene moiety - 2-furanone - Dicarboxylic acid or derivatives - Benzenoid - Dihydrofuran - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Acetal - Ether - Alkyl halide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Alkyl fluoride - Organooxygen compound - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.

External Descriptors

Not available

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