Compound Identification
SMILES
[H]C1([H])[C@@H](O)C2(O)C[C@@H](O)CC[C@]2(C)C2C(O)C[C@]3(C)[C@H](CCC3C12)C(C)CCC(C)C(C)C
InChIKey
InChIKey=VIJCVYMDNFFBAQ-WHQJJXBCSA-N
Formula
C28H50O4
Mass
450.704
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
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
6-hydroxysteroids 3-beta-hydroxysteroids 11-hydroxysteroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - 3-hydroxysteroid - 6-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 11-hydroxysteroid - 3-beta-hydroxysteroid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Polyol - Organooxygen compound - Organic oxygen compound - Alcohol - 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