Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12C[C@@H]1OB(O[C@]31C)[C@@H](Cl)CC1=CC=CC=C1

InChIKey

InChIKey=HMIFBIRHXYHNJM-YEMLJDGOSA-N

Formula

C23H32BClO2

Mass

386.77

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