Structure Information
Structure

Compound Identification

SMILES

C[C@@H](N)C(=O)OC12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@H]1[C@H]2CCC2CC(O)CC[C@]12C

InChIKey

InChIKey=WNXQKMQRLMCQAB-SNRKHKAVSA-N

Formula

C26H39NO5

Mass

445.6

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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 - Steroid ester - 3-hydroxysteroid - Hydroxysteroid - Alpha-amino acid ester - Alanine or derivatives - Alpha-amino acid or derivatives - 2-furanone - Dicarboxylic acid or derivatives - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Primary amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - 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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