Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C(CCC4(O)CC(CCC34C=O)OC(=O)C[N]3(C)C4CC(CC3C3OC43)OC(=O)C(CO)C3=CC=CC=C3)C1(O)CCC2C1=CC(=O)OC1

InChIKey

InChIKey=XFKQVAHNXCJTSS-UHFFFAOYSA-N

Formula

C42H54NO11

Mass

748.89

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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 - Steroid ester - 19-oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Oxosteroid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Beta-hydroxy acid - N-alkylpyrrolidine - Monocyclic benzene moiety - Hydroxy acid - Piperidine - Benzenoid - Oxazinane - 2-furanone - Morpholine - Enoate ester - Cyclic alcohol - Tertiary alcohol - Dihydrofuran - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Aldehyde - Organonitrogen compound - Primary alcohol - 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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