Structure Information
Structure

Compound Identification

SMILES

CC(O)C(O)C(O)C(O)C(=O)OC1CCC2(C=O)C3CCC4(C)C(CCC4(O)C3CCC2(C1)OC(C)=O)C1COC(=O)C=C1

InChIKey

InChIKey=JWWBNMPLIATWNA-UHFFFAOYSA-N

Formula

C32H46O12

Mass

622.708

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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

Aliphatic heteropolycyclic compounds

Substituents

Bufanolide-skeleton - Steroid ester - 19-oxosteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Tricarboxylic acid or derivatives - Sugar acid - Beta-hydroxy acid - Dihydropyranone - Pyran - Hydroxy acid - Monosaccharide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Aliphatic 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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