Structure Information
Structure

Compound Identification

SMILES

CCC1C2CC3C4N(C)C5=CC=CC=C5C44CC(C2C4O)[N+]3(CC(=O)OC2CCC3(C)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)C1O

InChIKey

InChIKey=KQKIBPHENIYGEF-UHFFFAOYSA-N

Formula

C45H61N2O7

Mass

741.989

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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 - Sarpagine-skeleton - Hydroxysteroid - 14-hydroxysteroid - Alpha-amino acid ester - Pyridoindole - Beta-carboline - Quinolizidine - Alpha-amino acid or derivatives - Alkaloid or derivatives - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Quinuclidine - Aralkylamine - Azepane - 2-furanone - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetraalkylammonium salt - Cyclic alcohol - Dihydrofuran - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Hemiaminal - Lactone - Organoheterocyclic compound - Azacycle - Alkanolamine - Oxacycle - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic cation - 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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