Compound Identification
SMILES
CCCC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)\C=C\[C@H](C)C(=O)[C@@]2(C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H](OC(=O)C2=CC=CC=C2)C1=C)OC(C)=O
InChIKey
InChIKey=VKTJHCMYCFPRCS-KVOUZOLRSA-N
Formula
C39H50O13
Mass
726.816
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
Hexacarboxylic acids and derivatives Benzoic acid esters Benzoyl derivatives Fatty acid esters Alpha-acyloxy ketones Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Jatrophane diterpenoid - Hexacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Alpha-acyloxy ketone - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid ester - 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 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