Structure Information
Structure

Compound Identification

SMILES

C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(=O)N[C@H](CCCN=C(N)N)C(O)=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1

InChIKey

InChIKey=UQWIHDZMOYEOHL-XEAGUBQWSA-N

Formula

C38H58N4O9

Mass

714.901

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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

Bufanolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Bufanolide-skeleton - Steroid ester - Hydroxysteroid - 14-hydroxysteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyranone - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acid - Fatty acyl - N-acyl-amine - Dicarboxylic acid or derivatives - Pyran - Fatty amide - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Carboxylic acid ester - Carboxamide group - Guanidine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bufanolides and derivatives. These are steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

External Descriptors

Not available

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