Structure Information
Structure

Compound Identification

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C)CC2=CC(=O)[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

InChIKey

InChIKey=QQGKALKJWLBYLM-JKDOMIIXSA-N

Formula

C25H38O6

Mass

434.573

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Fatty acid esters Cyclohexenones Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Delta valerolactone - Fatty acid ester - Cyclohexenone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Secondary alcohol - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

Previous Back Next