Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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