Structure Information
Structure

Compound Identification

SMILES

C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](OC(=O)CCC=C)C=CC(=O)[C@]4(COC(=O)CCC=C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(COC(C)=O)C(=O)O1

InChIKey

InChIKey=HONWRMNDLFEORR-CBARWEFVSA-N

Formula

C40H52O10

Mass

692.846

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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 - Steroid ester - 5,6-epoxysteroid - Tetracarboxylic acid or derivatives - Dihydropyranone - Oxepane - Cyclohexenone - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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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