Structure Information
Structure

Compound Identification

SMILES

COC(=O)C([C@H]1CC[C@H](OCC2=CC=CC=C2)[C@@]1(O)COCC1=CC=CC=C1)C(C)(O)CCC1=CC=CC=C1

InChIKey

InChIKey=HKNMRDSBCNXGGR-ZVUIRENXSA-N

Formula

C33H40O6

Mass

532.677

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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 homomonocyclic compounds

Substituents

Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzylether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Cyclopentanol - Cyclic alcohol - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic 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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