Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC[C@@H](OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F)[C@H]1CC[C@@H](O1)[C@@H](CCCCCC(=O)CCCC[C@H](CC1=C[C@H](C)OC1=O)OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F)OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=LOKLLIAQBVMHNA-YQGFDELNSA-N

Formula

C65H83F9O13

Mass

1243.352

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