Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC[C@]2(CC3=CC=C(Cl)C=C3)O[C@]12C1(CO)CCCCC1

InChIKey

InChIKey=AHPOUKDVJZQQBG-RTWAWAEBSA-N

Formula

C21H29ClO2

Mass

348.91

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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

Aromatic monoterpenoid - Bicyclic monoterpenoid - 11-noriridane monoterpenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - 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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