Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@H]4C(=O)COC5O[C@@H](CC345)C21

InChIKey

InChIKey=ACLQUYHRDOCPTN-NXRGRMBKSA-N

Formula

C21H26O4

Mass

342.435

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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

Aliphatic heteropolycyclic compounds

Substituents

Iridoid-skeleton - Furopyran - Oxepane - Cyclohexenone - Pyran - Oxane - Oxolane - Furan - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aldehyde - Aliphatic 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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