Structure Information
Structure

Compound Identification

SMILES

[H]\C(=C(/C)[C@@]1([H])C[C@]([H])(OC(C)=O)[C@@]2(C)[C@@]34O[C@]3([H])C[C@@]3([H])C(=C)CC([H])(C[C@]3(C)C4([H])CC(=O)[C@]12C)C(O)=O)[C@]1([H])C[C@@]([H])(C)C(=O)O1

InChIKey

InChIKey=SMNUGOZSIUXIRO-IHEYFCCKSA-N

Formula

C32H42O8

Mass

554.68

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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

Triterpenoid - Withanolide-skeleton - Prostaglandin skeleton - Eicosanoid - Steroid ester - Tricarboxylic acid or derivatives - Oxepane - Fatty acyl - Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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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