Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@]2(O)CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@](O)(O[C@]11CC(C)=C(C)C(=O)O1)[C@]23C

InChIKey

InChIKey=FDDHXZCTRDPLMO-NMXMXVLMSA-N

Formula

C28H37ClO7

Mass

521.05

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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 - 6-halo-steroid - Halo-steroid - 12-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - 17-hydroxysteroid - Naphthopyran - Naphthalene - Dihydropyranone - Ketal - Cyclohexenone - Oxane - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Hemiacetal - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Acetal - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Alcohol - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Alkyl chloride - 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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