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(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C.CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=YFJIIPXBULHACV-PYUPRQTASA-N
Formula
C62H81ClO8Ti
Mass
1037.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Pregnane 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
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Pregnane steroids
Alternative Parents
20-oxosteroids Delta-5-steroids 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
Pregnane-skeleton - 20-oxosteroid - Oxosteroid - Delta-5-steroid - Butyrophenone - Benzoyl - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Organic metal halide - Organic transition metal salt - Enolate - Organic oxygen compound - Alkoxide - Organooxygen compound - Organic zwitterion - Organic salt - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
External Descriptors
Not available