Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC2=C(C=C3SCCCS3)C=C(\C=C\C3=CC(\C=[N+](/[O-])C(C)(C)C)=C4C=C(C=CC(C)=C34)C(C)C)C2=C(C)C=C1

InChIKey

InChIKey=VGBSVBFCDOULAH-JXKVOSBVSA-N

Formula

C40H47NOS2

Mass

621.94

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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

Aromatic heteropolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Azulene - 1,3-dithiane - Ketene acetal or derivatives - Nitrone - Shiff base - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic cation - Aromatic 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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