Compound Identification
SMILES
C\C(=C/CC[C@](C)(O)[C@H]1CCC2(C)[C@@H]3CCC4=C(C)C(=O)CC[C@@H]4C3C(=O)C[C@]12C)C(O)=O
InChIKey
InChIKey=OAKCRDTXMOBPDZ-QFZNNKABSA-N
Formula
C28H40O5
Mass
456.623
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
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Subclass
Cholestane 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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Steroid acids 11-oxosteroids 3-oxo delta-4-steroids Hydroxysteroids Delta-4-steroids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Cyclohexenones Methyl-branched fatty acids Unsaturated fatty acids Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - 20-hydroxysteroid - Steroid acid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-oxosteroid - Delta-4-steroid - Medium-chain hydroxy acid - Medium-chain fatty acid - Cyclohexenone - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Tertiary alcohol - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available