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
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
Benzene and substituted derivatives Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organochlorides Monoalkylboranes Hydrocarbon derivatives Alkyl chlorides
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