Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)C12C3(C(C)(C)C)C(OC1(N=C(C(F)(F)F)C(F)(F)F)C1=CC=C(Cl)C=C1)(C(C)(C)C)C23C(C)(C)C

InChIKey

InChIKey=GFHLYKOROWOWHV-UHFFFAOYSA-N

Formula

C31H40ClF6NO3

Mass

624.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Iridoids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Secoiridoid-skeleton - Aromatic monoterpenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Oxane - Azomethine - Secondary ketimine - Oxolane - Carboxylic acid ester - Ketimine - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Imine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

External Descriptors

Not available

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