Structure Information
Structure

Compound Identification

SMILES

C[C@H]([C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1)[C@]12O[C@H]1[C@H](OC(C)=O)[C@]1(O)[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]21C

InChIKey

InChIKey=LBNOIKRBLYMNFW-XPQZGYLJSA-N

Formula

C36H50O15

Mass

722.781

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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

Diterpene glycoside - Withanolide-skeleton - Steroidal glycoside - Steroid ester - Diterpene lactone - Diterpenoid - 12-hydroxysteroid - 10-hydroxysteroid - 12-beta-hydroxysteroid - 14-hydroxysteroid - 6-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 1-oxosteroid - Terpene glycoside - Naphthopyran - O-glycosyl compound - Glycosyl compound - Naphthalene - Cyclohexenone - Dihydropyranone - Dicarboxylic acid or derivatives - Pyran - Monosaccharide - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Polyol - Acetal - Oxirane - Ether - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - 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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