Structure Information
Structure

Compound Identification

SMILES

CC1C=C2OC(=O)C(C)(O)C2C2C(OC(C)=O)C3C4C(O)C(=O)C5CC6OC6C(OC(C)=O)C5(C)C4C(O)C(OC(C)=O)C3(C)C12

InChIKey

InChIKey=JCKZPCQDUVAISV-UHFFFAOYSA-N

Formula

C33H42O13

Mass

646.686

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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 - 6-oxosteroid - 7-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - Tetracarboxylic acid or derivatives - Oxepane - Tetrahydrofuran - Tertiary alcohol - Enol ester - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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