Compound Identification
SMILES
C[C@@H]1\C=C\C(C)(C)[C@@H](OC(=O)C2=CN=CC=C2)[C@@H](O)[C@H](OC(C)=O)C(=C)[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@@](C)(C[C@]2(O)[C@@H]1OC(C)=O)OC(C)=O
InChIKey
InChIKey=GLYDSECXZWCLMS-JLCOFCIJSA-N
Formula
C41H49NO14
Mass
779.836
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
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
Hexacarboxylic acids and derivatives Benzoic acid esters Pyridinecarboxylic acids Benzoyl derivatives Tertiary alcohols Heteroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Jatrophane diterpenoid - Hexacarboxylic acid or derivatives - Benzoate ester - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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