Structure Information
Structure

Compound Identification

SMILES

CCC1(CC)C(OC(=O)C(C)(C)C1=O)C#CC1=CC=CC=C1

InChIKey

InChIKey=ACYJHSKFIFZBFZ-UHFFFAOYSA-N

Formula

C19H22O3

Mass

298.382

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Aldehyde - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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

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