Compound Identification
SMILES
CC1=CC=CC(=C1)C1(OC(C(O)=O)(C2=CC(C)=CC=C2)C(C(O)=O)(C2=CC(C)=CC=C2)C1(C(O)=O)C1=CC(C)=CC=C1)C(O)=O
InChIKey
InChIKey=AKJISKXINMETDQ-UHFFFAOYSA-N
Formula
C36H32O9
Mass
608.643
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
- Level 5 7,8'-epoxylignans
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Subclass
Tetrahydrofuran lignans
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Class
Furanoid lignans
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Superclass
Lignans, neolignans and related compounds
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
7,7'-epoxylignans Dibenzylbutane lignans Stilbenes Tetracarboxylic acids and derivatives Toluenes Oxolanes Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,7p-epoxylignan - 7,8p-epoxylignan - Dibenzylbutane lignan skeleton - Stilbene - Tetracarboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Oxolane - Oxacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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