Compound Identification
SMILES
COC1CC(OC(C)=O)C(C)(C)\C=C\C(C)(O)C(OC(C)=O)C2(O)C(O)C(C)C(OC(=O)C3=CC=CC=C3)C2C=C1C
InChIKey
InChIKey=LLRFCMBVLZWSEN-AOZIHAJDSA-N
Formula
C32H44O10
Mass
588.694
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
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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
Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Jatrophane diterpenoid - Benzoate ester - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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