Compound Identification
SMILES
CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@@H](C)\C=C\C(C)(C)[C@H](OC(=O)C2=CN=CC=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)C1=C)OC(=O)C1=CN=CC=C1
InChIKey
InChIKey=CWRPLMHGZHSFHZ-FTJOJWPCSA-N
Formula
C44H52N2O15
Mass
848.899
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Jatrophane and cyclojatrophane diterpenoids
Alternative Parents
Pyridinecarboxylic acids Alpha-acyloxy ketones Heteroaromatic compounds Ketones Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Jatrophane diterpenoid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alpha-acyloxy ketone - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as jatrophane and cyclojatrophane diterpenoids. These are diterpenoids with a structure based on the jatrophane or the 9,13-jatrophane skeleton. Jatrophane can be derived from casbane by 6,10-cyclization and opening of the cyclopropane. Cyclojatrophane diterpenoids are based on the 9,13-cyclization of the jatrophane skeleton yields the 9,13-cyclojatrophane skeleton.
External Descriptors
Not available