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Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](OC(=O)c2ccccc2)C(Br)[C@@H](C1)OC(=O)c1ccccc1

InChIKey

InChIKey=ZFVVFEGMCRMVBV-DUCQOEBWSA-N

Formula

C40H51BrO5

Mass

691.747

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Vitamin D and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Vitamin D and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Triterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.

External Descriptors

Not available

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