Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1CC[C@@]2(C=O)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1)C1=COC(=O)C=C1

InChIKey

InChIKey=VIOBLZMEZRNYRR-WSJGSITNSA-N

Formula

C26H34O7

Mass

458.551

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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 - Oxosteroid - Hydroxysteroid - 5-hydroxysteroid - 14-hydroxysteroid - Pyranone - Pyran - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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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