Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(CC2=CC3=C(OCO3)C=C2)O[C@]([H])(C2=CC3=C(OCO3)C=C2)[C@@]([H])(C)[C@]1([H])C

InChIKey

InChIKey=QPBYXPLUADJZPQ-YHPQYGKZSA-N

Formula

C21H22O5

Mass

354.402

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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

7,8'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7,8p-epoxylignan - Benzodioxole - Benzenoid - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7,8'-epoxylignans. These are lignans that contain either isomer of the 7,8'-epoxylignan skeleton. The first isomer consists of a tetrahydrofuran that carries a phenyl group at the 2- and the 4-positions, as well as one a methyl group at the 3- and 5-positions. The second isomer consists of a tetrahydrofuran that carries a benzyl group, a phenyl group, and a methyl group at the 2-, 4-, 5-position, respectively.

External Descriptors

Not available

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