Compound Identification
SMILES
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=RQXFIFSIGRFXOD-WTLDLSACSA-N
Formula
C28H46O4
Mass
446.672
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
6-oxosteroids 3-beta-hydroxysteroids 1-hydroxysteroids Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - 3-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-beta-hydroxysteroid - 6-oxosteroid - 1-hydroxysteroid - Tertiary alcohol - Cyclic alcohol - Ketone - Secondary alcohol - Polyol - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - 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