Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC(OC(=O)[C@@H]1C)[C@](C)(O)C1[C@@H](O)CC2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)C3CC(=O)[C@]12CO

InChIKey

InChIKey=DNJBXUBLTLZUIJ-SEAJLEIXSA-N

Formula

C28H38O7

Mass

486.605

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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

Withanolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Withanolide-skeleton - Prostaglandin skeleton - 20-hydroxysteroid - Eicosanoid - 18-hydroxysteroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - Oxosteroid - 12-oxosteroid - 1-oxosteroid - Hydroxysteroid - Cyclohexenone - Delta_valerolactone - Delta valerolactone - Fatty acyl - Oxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring.

External Descriptors

Not available

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