Structure Information
Structure

Compound Identification

SMILES

COC1=C(CC2=CC=CC=C2)C=CC(=C1)[C@@H](O)[C@H]1COC[C@@H]1[C@H](O)C1=CC(OC)=C(CC2=CC=CC=C2)C=C1

InChIKey

InChIKey=RHTWZQJEMTXFQF-XITCCLNHSA-N

Formula

C34H36O5

Mass

524.657

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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 - Diphenylmethane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxolane - Secondary alcohol - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic alcohol - 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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