Structure Information
Structure

Compound Identification

SMILES

[H]C(O)(CCCCCCCCCCCCC1=CC([H])(C)OC1=O)CC([H])(OC(C)=O)C1([H])CCC([H])(O1)C([H])(O)CCCCCCCCCCCC

InChIKey

InChIKey=FPQIHOHGIGXPEO-UHFFFAOYSA-N

Formula

C39H70O7

Mass

650.982

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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

Aliphatic heteromonocyclic compounds

Substituents

Annonaceae acetogenin skeleton - Long chain fatty alcohol - Fatty alcohol ester - 2-furanone - Dicarboxylic acid or derivatives - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aliphatic 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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