Compound Identification
SMILES
CC(C)C(C)C=CC(C)C1C(CC2C3C(O)C(=O)C4CC(O)CCC4(C)C3C(O)CC12C)OC(C)=O
InChIKey
InChIKey=LWMKDRSIMLTGDK-UHFFFAOYSA-N
Formula
C30H48O6
Mass
504.708
Taxonomic Classification
Taxonomy Tree
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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
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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
Steroid esters 7-hydroxysteroids 6-oxosteroids 3-hydroxysteroids 11-hydroxysteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Steroid ester - 3-hydroxysteroid - 6-oxosteroid - 7-hydroxysteroid - 11-hydroxysteroid - Hydroxysteroid - Oxosteroid - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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