Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=FADCOUQPHXGWQS-ZCDXYYCTSA-N
Formula
C27H44O3
Mass
416.646
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholesterol-skeleton - Ecdysteroid - 3-hydroxy-delta-7-steroid - 3-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-beta-hydroxysteroid - 6-oxosteroid - Delta-7-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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
CHEBI:19290 :
3beta-hydroxy steroid - enone - 6-oxo steroid - 14alpha-hydroxy steroid
LIPIDMAPS (LMST01010179) :
Cholesterol and derivatives