Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C(CCC4(O)CC(CCC34C)OC(=O)CCCCCC(=O)NC(CCCNC(N)=N)C(O)=O)C11OC1CC2c1ccc(=O)oc1

InChIKey

InChIKey=PSKPPRGFQJBANU-UHFFFAOYSA-N

Formula

C37H54N4O9

Mass

698.858

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