Compound Identification
SMILES
CO[C@H]1[C@H](C)C[C@H]2[C@@H]1CC(=C)C(=O)C[C@H]1C(C)(C)C=C[C@@]1(C)[C@H]2OCC1=CC=C(OC)C=C1
InChIKey
InChIKey=HEBVYEPUFPCXPO-GNVCJBNZSA-N
Formula
C29H40O4
Mass
452.635
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
-
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
Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Cyclic ketones Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,13-cyclojatrophane diterpenoid - Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen 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