Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C(CCC4CC(CCC34C)OCC3OC(O)C(O)C(O)C3O)C1(O)CCC2C1=CC(=O)OC1

InChIKey

InChIKey=MNSAQQBARMYNHI-UHFFFAOYSA-N

Formula

C29H44O9

Mass

536.662

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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 - 14-hydroxysteroid - Hydroxysteroid - 2-furanone - Monosaccharide - Oxane - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Lactone - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Polyol - Dialkyl ether - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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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