Structure Information
Structure

Compound Identification

SMILES

CCCCC(C)\C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)C[C@@H](C(=C)C=O)C(=O)C=C12

InChIKey

InChIKey=PYJCCAGXSBOWEO-KUYZMLLXSA-N

Formula

C29H43O9P

Mass

566.628

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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

Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Eremophilane sesquiterpenoid - Acyl phosphate - Cyclohexenone - Dialkyl phosphate - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha,beta-unsaturated aldehyde - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enal - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aldehyde - Organooxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

External Descriptors

Not available

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