Compound Identification
SMILES
[Na+].CC(C)[C@H](COS([O-])(=O)=O)\C=C\[C@@H](C)[C@H]1C[C@H](O)C2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=FBWSSWCLAJHRCG-SCZVDJSTSA-M
Formula
C28H47NaO8S
Mass
566.73
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-hydroxysteroids 3-beta-hydroxysteroids Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - 3-beta-hydroxysteroid - Hydroxysteroid - 5-hydroxysteroid - 15-hydroxysteroid - 6-hydroxysteroid - 3-hydroxysteroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Organic alkali metal salt - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Alcohol - 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