Structure Information
Structure

Compound Identification

SMILES

CCCC[C@@H](Cl)B1O[C@H]2C[C@@]34C[C@H](C(C)(C)[C@@H]3CC[C@H]4C)[C@@]2(C)O1

InChIKey

InChIKey=RIRIFXGRJVNSPQ-SKSNXLECSA-N

Formula

C20H34BClO2

Mass

352.75

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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

Aliphatic heteropolycyclic compounds

Substituents

Cedrane sesquiterpenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Alkylborane - Monoalkylborane - Organic oxygen compound - Alkyl chloride - Alkyl halide - 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

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