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[C@H](CCC(C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C)C(C)C.CC[C@H](CCC(C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H]([O-])CC[C@]4(C)C3CC[C@]12C)C(C)C

InChIKey

InChIKey=VFPVIXPCEIBOPO-NNPGGIQQSA-N

Formula

C78H117ClO6Ti

Mass

1234.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Stigmastanes and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Stigmastanes and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Triterpenoid - Stigmastane-skeleton - C24-propyl-sterol-skeleton - Delta-5-steroid - Butyrophenone - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ketone - Organic metal halide - Organic transition metal salt - Enolate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organic salt - Organic zwitterion - Alkoxide - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.

External Descriptors

Not available

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