Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3CC[C@@H]4CC5CC[C@]4(C)[C@@]3(O5)[C@H](Br)[C@@H](Br)[C@]12C

InChIKey

InChIKey=XRRHDGKBIMJRKD-VDDDDLAASA-N

Formula

C25H38Br2O3

Mass

546.384

Export to:

JSON SDF CSV

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

Aliphatic heteropolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Thromboxane - Eicosanoid - Diterpenoid - Halo-steroid - 12-halo-steroid - 11-halo-steroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Oxane - Methyl ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteropolycyclic 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

Previous Back Next