Compound Identification
SMILES
CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)CC=CC(=O)C4(C)C3CCC12C
InChIKey
InChIKey=PQZVBIJEPVKNOZ-UHFFFAOYSA-N
Formula
C28H40O8
Mass
504.62
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
14-hydroxysteroids 17-hydroxysteroids 6-hydroxysteroids Oxosteroids Cyclohexenones Dihydropyranones Enoate esters Tertiary alcohols Lactones Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 20-hydroxysteroid - 14-hydroxysteroid - 6-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - 17-hydroxysteroid - Cyclohexenone - Dihydropyranone - Pyran - Tertiary alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Polyol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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