Compound Identification
SMILES
CC1(C)O[C@@H]2C[C@@]34C[C@@H]([C@]2(C)O1)[C@](C)(C=O)[C@@H]3CC[C@@H]4COCC1=CC=CC=C1
InChIKey
InChIKey=KEVMDXQRMGFJLG-GTEJIKEISA-N
Formula
C25H34O4
Mass
398.543
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
Benzylethers Ketals 1,3-dioxolanes Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cedrane sesquiterpenoid - Benzylether - Ketal - Monocyclic benzene moiety - Benzenoid - Meta-dioxolane - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organooxygen compound - Organic oxide - Aromatic 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