Compound Identification
SMILES
CS(=O)(=O)OC([C@@H]1[C@@H](CC2=CC3=C(OCO3)C=C2)COC1=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=WMVWMNBIDHFTNL-VEUFKTSSSA-N
Formula
C21H20O9S
Mass
448.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lignans, neolignans and related compounds
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Class
Furanoid lignans
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Subclass
Tetrahydrofuran lignans
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Level 5
9,9'-epoxylignans
- Level 6 Dibenzylbutyrolactone lignans
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Level 5
9,9'-epoxylignans
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Subclass
Tetrahydrofuran lignans
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Class
Furanoid lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Furanoid lignans
Subclass
Tetrahydrofuran lignans
Intermediate Tree Nodes
9,9'-epoxylignans
Direct Parent
Dibenzylbutyrolactone lignans
Alternative Parents
Lignan lactones Benzodioxoles Sulfonic acid esters Benzenoids Organosulfonic acid esters Gamma butyrolactones Sulfonyls Oxolanes Methanesulfonates Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Benzodioxole - Gamma butyrolactone - Sulfonic acid ester - Benzenoid - Organosulfonic acid ester - Methanesulfonate - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.
External Descriptors
Not available