Compound Identification
SMILES
CC1C=CC(COC(=O)CCC(O)=O)C2=C3CC4=C5C3=C3C6=C7C8=C9C(CCC%10C=CC%11=C(C3=C(C=C%11)C12)C6=C9%10)=CC1C=CC(=C4)C(C81)=C57
InChIKey
InChIKey=SALWXZOYFGWRAB-UHFFFAOYSA-N
Formula
C45H32O4
Mass
636.747
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Tetralins Naphthalenes Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenanthrene - Tetralin - Naphthalene - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available