Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3)[C@@H]1CC[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=AFSOSCADZYHIKV-HLHZGYIESA-N

Formula

C38H42O4

Mass

562.75

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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

Aromatic heteropolycyclic compounds

Substituents

Cardanolide-skeleton - Anthracene carboxylic acid - Anthracene carboxylic acid or derivatives - Anthracene - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - 2-furanone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic 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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