Compound Identification
SMILES
CC(C)CO[C@@H]1[C@@H](O)[C@@H](OC(C)=O)C(C)(C)\C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]2[C@@H](OC(C)=O)C1=C
InChIKey
InChIKey=DBPPERDZDTXBDS-WPKOCLLCSA-N
Formula
C39H54O13
Mass
730.848
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
Pentacarboxylic acids and derivatives Benzoic acid esters Benzoyl derivatives Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Jatrophane diterpenoid - Pentacarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - 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