Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C)OC(=O)CCCCCCC(=O)N[C@H](CCCN=C(N)N)C(O)=O)[C@]11O[C@@H]1C[C@@H]2C1=COC(=O)C=C1

InChIKey

InChIKey=SRSJNASBFYXJMJ-GFJAXGORSA-N

Formula

C38H56N4O9

Mass

712.885

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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 - Naphthopyran - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Pyranone - Fatty acid ester - N-acyl-amine - Oxane - Dicarboxylic acid or derivatives - Pyran - Fatty acyl - Fatty amide - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Secondary carboxylic acid amide - Carboxamide group - Lactone - Guanidine - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Oxirane - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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