Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34\C=N\c3ccccc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=MYEIVFFUHBZPEL-SIQPSBIZSA-N

Formula

C29H37NO5

Mass

479.617

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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 - 3-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - Monocyclic benzene moiety - 2-furanone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Tertiary alcohol - Dihydrofuran - Carboxylic acid ester - Shiff base - Secondary alcohol - Lactone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Aldimine - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Imine - Organooxygen compound - Organonitrogen 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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