Compound Identification
SMILES
CC1C=C2OC(=O)C(C)(O)C2C2C(OC(C)=O)C3C4C(O)C(=O)C5CC6OC6C(OC(C)=O)C5(C)C4C(O)C(OC(C)=O)C3(C)C12
InChIKey
InChIKey=JCKZPCQDUVAISV-UHFFFAOYSA-N
Formula
C33H42O13
Mass
646.686
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
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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
Steroid esters 7-hydroxysteroids 6-oxosteroids 11-hydroxysteroids Tetracarboxylic acids and derivatives Oxepanes Tetrahydrofurans Tertiary alcohols Enol esters Secondary alcohols Lactones Ketones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Withanolide-skeleton - Steroid ester - 6-oxosteroid - 7-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - Tetracarboxylic acid or derivatives - Oxepane - Tetrahydrofuran - Tertiary alcohol - Enol ester - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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