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Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C

InChIKey

InChIKey=PQZVBIJEPVKNOZ-UHFFFAOYSA-N

Formula

C28H40O8

Mass

504.62

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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 - 20-hydroxysteroid - 14-hydroxysteroid - 6-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - 17-hydroxysteroid - Cyclohexenone - Dihydropyranone - Pyran - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Polyol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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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