Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCCN(CCO)CCO)C1(O)CCC2C1=CC(=O)OC1

InChIKey

InChIKey=MKRWCAIQWFEWRD-UHFFFAOYSA-N

Formula

C30H48N2O7

Mass

548.721

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