Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=C)C1=CC[C@H](C)[C@H]2CC3(SCCS3)C(C)=C2C1=O

InChIKey

InChIKey=YPJGKQJVZQDFKT-IINYFYTJSA-N

Formula

C18H22O3S2

Mass

350.49

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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

Guaianes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Dithioketal - Thioacetal - Dithiolane - 1,3-dithiolane - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Dialkylthioether - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.

External Descriptors

Not available

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