Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=CXNYADIRHYEVFV-OAQRAGNNSA-N

Formula

C26H34O9

Mass

490.549

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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 - 3-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-alpha-hydroxysteroid - 11-hydroxysteroid - 3-beta-hydroxysteroid - Pyranone - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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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