Compound Identification
SMILES
C[C@H]1[C@@H]2[C@@H]3[C@H](CCC(=C)[C@H]2C2=C(C[C@](C)(O)C2=O)C1=O)C3(C)C
InChIKey
InChIKey=AKYCTHTXCPVVOB-STPYIFJPSA-N
Formula
C20H26O3
Mass
314.425
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
Jatropholane and crotopholane diterpenoids
Alternative Parents
Cyclohexenones Acyloins Tertiary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Jatropholane or crotopholane diterpenoid - Cyclohexenone - Acyloin - Tertiary alcohol - Cyclic alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as jatropholane and crotopholane diterpenoids. These are diterpenoids with a structure based either on the jatropholane or the crotopholane skeleton. Jatropholanes arise by 5,13- and 6,10-cyclisation of a casbane precursor. Subsequent cleavage of the 2,15-cyclopropane bond affords crotofolane.
External Descriptors
Not available