Compound Identification
SMILES
[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]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C.CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=JURMUSJPWLJEHF-NRFYLTCHSA-N
Formula
C74H108O6Ti
Mass
1141.539
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
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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
Delta-5-steroids Butyrophenones Benzoyl derivatives Aryl ketones Organic transition metal salts Enolates Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
Molecular Framework
Not available
Substituents
Cholesterol - Delta-5-steroid - Butyrophenone - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Organic transition metal salt - Enolate - Organic oxygen compound - Organooxygen compound - Alkoxide - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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