Structure Information
Structure

Compound Identification

SMILES

COC1=C[C@@H](C)O[C@@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](C(=O)[C@@H](O)[C@@]5(C)[C@H](CC[C@@]45O)C4=CC(=O)OC4)[C@]3(C)C[C@H]2O)C1=O

InChIKey

InChIKey=PPGHVSHBDLAADD-VYRZVJNJSA-N

Formula

C30H40O10

Mass

560.64

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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 - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 14-hydroxysteroid - 2-hydroxysteroid - 12-hydroxysteroid - Dihydropyranone - Pyran - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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