Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@H](C\C(C)=C/C[C@@H]3C(C)(C)C=C[C@@]3(C)[C@H]2O)[C@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=NLBCZRMXAMCRDD-TYSPKUFZSA-N
Formula
C27H38O2
Mass
394.599
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
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,13-cyclojatrophane diterpenoid - Benzylether - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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