Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=UQPYXHJTHPHOMM-NIBOIBLTSA-N
Formula
C27H44O3
Mass
416.646
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
7-hydroxysteroids 3-oxo delta-4-steroids 12-hydroxysteroids Delta-4-steroids Cyclohexenones Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - 7-hydroxysteroid - Oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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
CHEBI:28477 :
3-oxo steroid - 7alpha-hydroxy steroid - cholestanoid - 12alpha-hydroxy steroid
LIPIDMAPS (LMST04030114) :
C27 bile acids, alcohols, and derivatives