Structure Information
Structure

Compound Identification

SMILES

C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34CO)OC(=O)CCCCCCCCCCCCCO)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1

InChIKey

InChIKey=ZYNSTXVXEDNVFS-XJBAPAIJSA-N

Formula

C38H60O9

Mass

660.889

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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 - 19-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - Long chain fatty alcohol - Fatty alcohol - Pyranone - Fatty acyl - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Lactone - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - 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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