Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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