Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@@H](F)[C@@]1(C)[C@@H]3OC(C)(C)O[C@@H]3C3=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C4=CC=CC=C4)[C@H]21)C3(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=NC=C1

InChIKey

InChIKey=PXLSHEMOQCQUQY-CCTZBENOSA-N

Formula

C45H57FN2O13

Mass

852.95

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Tricarboxylic acid or derivatives - Benzoyl - Ketal - Fatty acid ester - Monosaccharide - Fatty acyl - Pyridine - Meta-dioxolane - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Carboxylic acid ester - Carbonic acid derivative - Oxetane - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alkyl fluoride - Alcohol - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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

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