Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=O)C[N+]12CC[N+](CC3=CC=C(C=C3)C3=CC=C(C[C@@H]([C@H](CC4=CC=CC=C4)C(O)=O)C(O)=O)C=C3)(CC1)CC2
InChIKey
InChIKey=GZTAHSDOHSWVAF-CAZDAUFVSA-P
Formula
C37H41F6N3O9
Mass
785.736
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Dibenzylbutane lignans
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Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Dibenzylbutane lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzylbutane lignans
Alternative Parents
Alpha amino acid amides Biphenyls and derivatives Phenylpropanoic acids N-piperazineacetamides Phenylmethylamines Benzylamines Aralkylamines N-alkylpiperazines Dicarboxylic acids and derivatives Tetraalkylammonium salts Alpha-halocarboxylic acids Primary carboxylic acid amides Azacyclic compounds Carboxylic acids Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organic cations
Molecular Framework
Not available
Substituents
Dibenzylbutane lignan skeleton - Alpha-amino acid amide - Biphenyl - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - N-piperazineacetamide - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Benzenoid - Piperazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,4-diazinane - Quaternary ammonium salt - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organofluoride - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.
External Descriptors
Not available