Compound Identification
SMILES
CC(CCC(=C)C(C)C(O)=O)C1CCC2C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)C1CC3=C
InChIKey
InChIKey=AOHVXUIUIGQIIP-UHFFFAOYSA-N
Formula
C30H42O4
Mass
466.662
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Ergostane steroids
- Level 5 Ergosterols and derivatives
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Subclass
Ergostane steroids
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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
Ergostane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Ergosterols and derivatives
Alternative Parents
Bile acids, alcohols and derivatives Steroid acids 3-oxosteroids 11-oxosteroids Medium-chain fatty acids Cyclohexenones Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Bile acid, alcohol, or derivatives - Steroid acid - 3-oxosteroid - 11-oxosteroid - Oxosteroid - Medium-chain fatty acid - Cyclohexenone - Fatty acyl - Fatty acid - Unsaturated fatty acid - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.
External Descriptors
Not available