Compound Identification
SMILES
CC(C)[C@H]1CC[C@H]2[C@@H]3C=CC(C)=CC[C@]3(COC(C)=O)CC[C@]12C(O)=O
InChIKey
InChIKey=YDBUKMYAFSATJK-SBOYYNGUSA-N
Formula
C22H32O4
Mass
360.494
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
Valparane and mulinane diterpenoids
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Valparane or mulinane diterpenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as valparane and mulinane diterpenoids. These are diterpenoids with a structure based on either the valparane or mulinane skeleton. Valparane and mulinane are tricyclic compounds containing a tetradecahydrocyclohepta[e]indene skeleton. Valparane carries a 1-methylethyl at the 3-position, as well as three methyl groups at the 5a-, 8-, and 10b-position of the ring system. Mulinane carries a 1-methylethyl at the 3-position, as well as three methyl groups at the 3a-, 5a-, and 8-position of the ring system.
External Descriptors
Not available