Compound Identification
SMILES
CC1=C(C)C(=O)OC(C1)[C@]1(C)OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5[C@@H](O)C=CC(=O)[C@]45C)[C@@H]2CC[C@H]13
InChIKey
InChIKey=KUMLKGYHDQWUCK-AHQVBWERSA-N
Formula
C28H34O6
Mass
466.574
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
Oxosteroids Hydroxysteroids Dihydropyranones Cyclohexenones Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Enoate esters Secondary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 4-hydroxysteroid - Hydroxysteroid - 1-oxosteroid - Oxosteroid - Dihydropyranone - Cyclohexenone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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