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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Morphinans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Morphinans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Morphinans
Alternative Parents
Phenanthrenes and derivatives Isoquinolones and derivatives Tetralins Tropane alkaloids Coumarans Anisoles Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Sugar acids and derivatives Short-chain hydroxy acids and derivatives Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Monosaccharides Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols Trialkylamines Carboxylic acid esters Ketones Azacyclic compounds Carboxylic acids Oxacyclic compounds Organic oxides Organic bromide salts Organic zwitterions Aromatic alcohols Hydrocarbon derivatives
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