Compound Identification
SMILES
COC1=C(OC)C(OC)=C(Br)C(CC2C(COC2=O)[C@@H](OC(C)=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=CBTVCGYSYFVYRN-BUNACBEFSA-N
Formula
C24H25BrO9
Mass
537.359
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Dicarboxylic acids and derivatives Gamma butyrolactones Tetrahydrofurans Carboxylic acid esters Acetals Oxacyclic compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Tetrahydrofuran - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organobromide - Carbonyl group - Organic oxide - Organooxygen compound - Organohalogen compound - Organic oxygen compound - 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