Compound Identification
SMILES
CC1=C(C)C(=O)OC(C1)[C@]1(C)OC(O)C23CCC4C(CC=C5[C@@H](O)C=CC(=O)[C@]45C)C2CCC13
InChIKey
InChIKey=NPWKXUHEDUPUNP-ULHYTMMDSA-N
Formula
C28H36O6
Mass
468.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Withanolides and derivatives
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Subclass
Steroid lactones
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
18-hydroxysteroids Oxosteroids Dihydropyranones Cyclohexenones Oxolanes Enoate esters Secondary alcohols Lactones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 18-hydroxysteroid - 4-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - Cyclohexenone - Dihydropyranone - Pyran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxolane - Carboxylic acid ester - Secondary alcohol - Hemiacetal - Ketone - Lactone - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - 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