Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC[C@@H](OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F)[C@@H](CC[C@H](OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F)[C@@H]1CC[C@@H](C[C@@H](CCCCC[C@H](CC2=C[C@H](C)OC2=O)OC(=O)[C@@](OC)(C2=CC=CC=C2)C(F)(F)F)OC(=O)[C@@](OC)(C2=CC=CC=C2)C(F)(F)F)O1)OC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=RUABSRFASJEOLU-HGWGFXOMSA-N

Formula

C85H99F15O18

Mass

1693.685

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