Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N(C)CCBr)OC(=O)CCCCCCCCCCCCCCCCC

InChIKey

InChIKey=SJWVIGUBKKFQGI-RUUAAKOQSA-N

Formula

C52H101BrNO7P

Mass

963.258

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Menthane monoterpenoids

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Monocyclic monoterpenoid - P-menthane monoterpenoid - Phosphoric diester monoamide - Fatty acid ester - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Fatty acyl - Organic phosphoric acid amide - Phosphoric acid ester - Carboxylic acid ester - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organooxygen compound - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.

External Descriptors

Not available

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