Compound Identification
SMILES
Cl.[Ti+4].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C.CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CCC4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=GMDDOQDFSMANDN-YVVVAJMBSA-N
Formula
C74H113ClO6Ti
Mass
1182.03
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
Butyrophenones Benzoyl derivatives Aryl ketones Organic transition metal salts Organic metal halides Enolates Organic zwitterions Organic oxides Hydrochlorides Hydrocarbon derivatives Alkoxides
Molecular Framework
Not available
Substituents
Cholesterol - Butyrophenone - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Organic metal halide - Enolate - Organic transition metal salt - Alkoxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic zwitterion - Hydrochloride - Organic salt - Aromatic 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