Compound Identification
SMILES
C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1[C@@H](C[C@@H](OC(C)=O)[C@]21C)C(=C)CCC(O)C(C)=C
InChIKey
InChIKey=ROJXIFULGRJUGQ-CDNIQBMISA-N
Formula
C22H34O3
Mass
346.511
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
Spatane and 4,10-secospatane diterpenoids
Alternative Parents
Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Spatane diterpenoid - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 spatane and 4,10-secospatane diterpenoids. These are diterpenoids with a structure based on the spatane or 4,10-secospatane skeleton. The spatane skeleton is formally derived from a prenylgermacrane by 1,5- and 6,10-cyclisation.
External Descriptors
Not available