Compound Identification
SMILES
[H][C@@]12C[C@@]3(O)[C@]([H])(OC(=O)C4=CC=CC=C4)[C@]1([H])C(=C[C@]3([H])OC)[C@@]1([H])[C@]([H])(OC)[C@@]3([H])[C@]22[C@]1([H])N(CC)C[C@]3(COC)[C@]([H])(O)C[C@]2([H])OC
InChIKey
InChIKey=CCBSMPVKKCPBNN-RCLLOGIUSA-N
Formula
C32H43NO8
Mass
569.695
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Quinolidines Benzoyl derivatives Azepanes Piperidines Tertiary alcohols Amino acids and derivatives Trialkylamines Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Quinolidine - Benzoyl - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available