Structure Information
Structure

Compound Identification

SMILES

[H][C@](CO)([C@]1([H])CC[C@@]2([H])[C@@]3([H])C[C@@]([H])(O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@]1([H])CC(C)=C(CO)C(=O)O1

InChIKey

InChIKey=UCOUIXCKSZUAKU-CLTCYMMPSA-N

Formula

C28H40O7

Mass

488.621

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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 - 26-hydroxysteroid - Tetrahydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 21-hydroxysteroid - 6-hydroxysteroid - Oxosteroid - 1-oxosteroid - 5-hydroxysteroid - Hydroxysteroid - Cyclohexenone - Dihydropyranone - Pyran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - 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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