Compound Identification
SMILES
[H]\C(C)=C(\C)C(=O)OC1C=C2C(OC(C)=O)OC(OC(C)=O)C3C(O)CC4C(C)(C)C1CC234
InChIKey
InChIKey=GKBCYQZLYMMXKN-YRNVUSSQSA-N
Formula
C24H32O8
Mass
448.512
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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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
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Cedrane and isocedrane sesquiterpenoids
Alternative Parents
Tricarboxylic acids and derivatives Fatty acid esters Oxanes Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isocedrane sesquiterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Oxane - Fatty acyl - Cyclic alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position.
External Descriptors
Not available