Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(C1)OC(C)=O)C1=COC(=O)C=C1

InChIKey

InChIKey=CCZLIPXVLKAJFW-UHFFFAOYSA-N

Formula

C28H36O8

Mass

500.588

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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-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Pyranone - Dicarboxylic acid or derivatives - Pyran - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Aldehyde - Organooxygen 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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