Structure Information
Structure

Compound Identification

SMILES

CC(C1CCC2C3CC4OC44C(O)C(CC(=O)C4(C)C3CCC12C)N1CCCC1)C1CC(C)=C(CO)C(=O)O1

InChIKey

InChIKey=CFDSVRUCYWVQNW-UHFFFAOYSA-N

Formula

C32H47NO6

Mass

541.729

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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 - 5,6-epoxysteroid - Dihydropyranone - Oxepane - Pyran - N-alkylpyrrolidine - Pyrrolidine - Cyclic alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - 1,2-aminoalcohol - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Ketone - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary 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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