Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC[C@H](OC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H]1CCCO1

InChIKey

InChIKey=YBEHPEJIKJGHLE-YUDMECHNSA-N

Formula

C28H52O4

Mass

452.72

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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 heteromonocyclic compounds

Substituents

P-menthane monoterpenoid - Monocyclic monoterpenoid - Carbonic acid diester - Oxolane - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic 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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