Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(O)=O)[C@]11O[C@@H]1CC2C1=COC(=O)C=C1

InChIKey

InChIKey=PRMSQJQRXAFMHG-GEIGGHBASA-N

Formula

C38H56N4O8

Mass

696.886

Export to:

JSON SDF CSV

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

Previous Back Next