Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC(O)C3C(CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CCCCCCC(O)=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1

InChIKey

InChIKey=PIZLMBYRGJZNDF-RZUAVCPJSA-N

Formula

C32H46O8

Mass

558.712

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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 - 11-hydroxysteroid - Hydroxysteroid - 14-hydroxysteroid - Medium-chain fatty acid - Pyranone - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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