Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCC[C@@H](OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[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)OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=XVXBHCNMLZPKGN-POJNBYLYSA-N

Formula

C77H94F12O16

Mass

1503.564

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