Structure Information
Structure

Compound Identification

SMILES

CCCCC(=O)O[C@H]1CC[C@]2(C=O)C3CC[C@]4(C)[C@H](CC[C@]4(O)C3CC[C@]2(O)C1)C1=CC(=O)OC1

InChIKey

InChIKey=XQSVLBBUYOVHDA-PNQBCYOKSA-N

Formula

C28H40O7

Mass

488.621

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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 - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 2-furanone - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Cyclic alcohol - Dihydrofuran - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aldehyde - Alcohol - 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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