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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C[C@@H]2COC[C@H]2C(SC2=CC=CC=C2)C2=CC(OC)=CC=C2)=C1

InChIKey

InChIKey=KPAYZPMPFZVIIJ-XSEHGGBNSA-N

Formula

C26H28O3S

Mass

420.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Furanoid lignans

Subclass

Tetrahydrofuran lignans

Intermediate Tree Nodes

Not available

Direct Parent

9,9'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

9,9p-epoxylignan - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Oxolane - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group).

External Descriptors

Not available

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