Compound Identification
SMILES
[H][C@](CO)([C@]1([H])CC[C@@]2([H])[C@@]3([H])C[C@@]([H])(O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@]1([H])CC(C)=C(CO)C(=O)O1
InChIKey
InChIKey=UCOUIXCKSZUAKU-CLTCYMMPSA-N
Formula
C28H40O7
Mass
488.621
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Steroid lactones
- Level 5 Withanolides and derivatives
-
Subclass
Steroid lactones
-
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
Tetrahydroxy bile acids, alcohols and derivatives 21-hydroxysteroids Oxosteroids 6-hydroxysteroids Cyclohexenones Dihydropyranones Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - 26-hydroxysteroid - Tetrahydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - 21-hydroxysteroid - 6-hydroxysteroid - Oxosteroid - 1-oxosteroid - 5-hydroxysteroid - Hydroxysteroid - Cyclohexenone - Dihydropyranone - Pyran - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - 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