Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C(CCC4(O)CC(CCC34C=O)OC([O-])=C[N+]#N)C1(O)CCC2C1=CC(=O)OC1

InChIKey

InChIKey=DGUCOLUELMRNRY-UHFFFAOYSA-N

Formula

C25H32N2O7

Mass

472.538

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Steroid lactones

Intermediate Tree Nodes

Not available

Direct Parent

Cardenolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cardanolide-skeleton - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 2-furanone - Cyclic alcohol - Dihydrofuran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Alcohol - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

External Descriptors

Not available

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