Compound Identification
SMILES
CC(C)C(=C)CCC([C@H]1CCC2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
InChIKey
InChIKey=DVXFDXIVWQWLIU-VZLNGMIXSA-N
Formula
C31H46O3
Mass
466.706
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
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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
Triterpenoids Bile acids, alcohols and derivatives Steroid acids 3-oxo delta-7-steroids Delta-7-steroids Medium-chain fatty acids Unsaturated fatty acids Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Triterpenoid - Ergosterol-skeleton - Bile acid, alcohol, or derivatives - Steroid acid - Oxosteroid - 3-oxosteroid - 3-oxo-delta-7-steroid - Delta-7-steroid - Medium-chain fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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