Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@@H](O)[C@@]13CO[C@@]4(C)[C@@H]1C[C@H](O)C(=O)O[C@H]4[C@H](O)[C@H]23

InChIKey

InChIKey=JQRXDXNJURQDRN-JBAAVECLSA-N

Formula

C21H28O8

Mass

408.447

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lactones

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Caprolactone - Cyclohexenone - Oxepane - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Cyclic ketone - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Polyol - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

External Descriptors

Not available

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