Compound Identification
SMILES
CC1CC2(OC(C)=O)C(C1OC(C)=O)C(OC(C)=O)C(=C)C(OC(=O)c1ccccc1)C(OC(C)=O)C(OC(C)=O)C(C)(C)\C=C\C(C)C2=O
InChIKey
InChIKey=ZTSSEYOOEGPYFY-WUKNDPDISA-N
Formula
C37H46O13
Mass
698.762
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 Benzoyl derivatives Alpha-acyloxy ketones Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hexacarboxylic acid or derivatives - Jatrophane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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