Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CBr)C1(O)CC[C@@H]2C1=CC(=O)OC1

InChIKey

InChIKey=NINRIIHMWQEVEA-NHODDBOBSA-N

Formula

C25H35BrO5

Mass

495.454

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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

Aliphatic heteropolycyclic compounds

Substituents

Polycyclic triterpenoid - Triterpenoid - Cardanolide-skeleton - Steroid lactone - Steroid ester - Hydroxysteroid - 14-hydroxysteroid - Terpene lactone - Dicarboxylic acid or derivatives - 2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Dihydrofuran - Cyclic alcohol - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - 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

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