Compound Identification
SMILES
CC(C)C(C)C=CC(C)C1CCC2C3=CC(O)C4(O)CC(O)C(O)CC4(CO)C3(O)C(CC12C)OC(C)=O
InChIKey
InChIKey=VOACOSSWSCQWBK-UHFFFAOYSA-N
Formula
C30H48O8
Mass
536.706
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
-
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 6-hydroxysteroids 3-hydroxy delta-7-steroids Delta-7-steroids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Steroid ester - 19-hydroxysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 2-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 5-hydroxysteroid - Delta-7-steroid - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - 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