Compound Identification
SMILES
CC1CC2(OC(C)=O)C(=O)C(C)C=CC(C)(C)C(=O)C(CC(=C)C(OC(C)=O)C2(O)C1OC1=CC=CC=C1)OC(C)=O
InChIKey
InChIKey=MTGQAODUFPLLOP-UHFFFAOYSA-N
Formula
C32H40O10
Mass
584.662
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
Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Alpha-acyloxy ketones Alkyl aryl ethers Tertiary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Jatrophane diterpenoid - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - 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