Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@@]34C=O)OS(O)(=O)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=LQKIRCWMZFJFKX-OYWGPESYSA-N

Formula

C23H32O8S

Mass

468.56

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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 - Sulfated steroid skeleton - 19-oxosteroid - Oxosteroid - Hydroxysteroid - 14-hydroxysteroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Organic sulfuric acid or derivatives - Dihydrofuran - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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