Structure Information
Structure

Compound Identification

SMILES

[Br-].OC(C(O)C(O)=O)C(O)=O.C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1.COC1=C2OC3C(=O)CCC4C5CC(C=C1)=C2C34CCN5C

InChIKey

InChIKey=CAIZUQCUYKJVDY-UHFFFAOYSA-M

Formula

C39H51BrN2O12

Mass

819.743

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Morphinans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Morphinans

Alternative Parents

Molecular Framework

Not available

Substituents

Morphinan - Phenanthrene - Isoquinolone - Tetralin - Tropane alkaloid - Coumaran - Anisole - Phenol ether - Sugar acid - Short-chain hydroxy acid - Alkyl aryl ether - Beta-hydroxy acid - Aralkylamine - Benzenoid - Piperidine - N-alkylpyrrolidine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Alpha-hydroxy acid - Fatty acid - Hydroxy acid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Organic bromide salt - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Amine - Organic oxygen compound - Aromatic alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.

External Descriptors

Not available

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