Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3C(CC[C@@H]4C[C@H](CC[C@]34C)OC=O)[C@@]1(O)C[C@H](OC=O)[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=AISBGAJDNGFBRL-KMESBTIVSA-N

Formula

C25H34O7

Mass

446.54

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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 - 14-hydroxysteroid - Hydroxysteroid - Tricarboxylic acid or derivatives - 2-furanone - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen 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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