Structure Information
Structure

Compound Identification

SMILES

CC1=C(CO)C(=O)O[C@H](C1)[C@]1(C)O[C@@]23CCC1[C@@]2(C)CC[C@H]1[C@H]3CC=C2C=CCC(=O)[C@]12C

InChIKey

InChIKey=XLKFUJPNXPVFRF-VJKUQLGUSA-N

Formula

C28H36O5

Mass

452.591

Export to:

JSON SDF CSV

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 - 1-oxosteroid - Oxosteroid - Naphthofuran - Dihydropyranone - Cyclohexenone - Oxane - Pyran - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Lactone - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Primary alcohol - Organic oxygen 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

Previous Back Next