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Structure Information
Structure

Compound Identification

SMILES

[Ti+4].CC[O-].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

InChIKey

InChIKey=ROKUETDCCIDSDE-PJVUARBTSA-N

Formula

C49H68O6Ti

Mass

800.944

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Taxonomic Classification

Taxonomy Tree

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

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

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