Structure Information
Structure

Compound Identification

SMILES

CC1CCC2C(C)(C)C3CC12CCC3(C)OC(=O)NC1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=HFRKDCZGTMMNIX-UHFFFAOYSA-N

Formula

C22H30N2O4

Mass

386.492

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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 homopolycyclic compounds

Substituents

Cedrane sesquiterpenoid - Phenylcarbamic acid ester - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic 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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