Compound Identification
SMILES
CC(C)CCCC(C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=IEKSXMCTPPBIAY-OZVXVYQOSA-N
Formula
C27H44O3
Mass
416.646
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
-
Subclass
Cholestane steroids
-
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
3-oxo delta-4-steroids 16-beta-hydroxysteroids Delta-4-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - 20-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 16-beta-hydroxysteroid - 16-hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Ketone - Cyclic ketone - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - 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
Not available