Structure Information
Structure

Compound Identification

SMILES

CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(=O)OC1(C[C@H]2O[C@@H]1C=C2)C#N

InChIKey

InChIKey=HJEQDTKZNCUQDS-AWIPYCNKSA-N

Formula

C17H19NO5

Mass

317.341

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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

Pyrans Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Dihydrofurans Carboxylic acid esters Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Pyran - Dihydrofuran - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Organic oxide - Cyanide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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

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