Compound Identification
SMILES
C[C@H](\C=C\C(CO)C(C)(C)O)C1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=UYQJQSVQOFZQRY-KSXKPLSLSA-N
Formula
C28H40O3
Mass
424.625
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
-
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
Hydroxysteroids 3-oxosteroids Fatty alcohols Cyclohexenones Tertiary alcohols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - 25-hydroxysteroid - 3-oxosteroid - Oxosteroid - Fatty alcohol - Cyclohexenone - Fatty acyl - Tertiary alcohol - Cyclic ketone - Ketone - Primary alcohol - Alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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