Compound Identification
SMILES
CCOCCO[C@@H]([C@@H]1[C@H]([C@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)OC1=O)C1(SCCCS1)C1=C(OC)C2=C(OCO2)C=C1)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=BHVVXXSERMPZBN-ZXMHAHDHSA-N
Formula
C40H56O11S2
Mass
777.0
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
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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
9,9'-epoxylignans
Direct Parent
Dibenzylbutyrolactone lignans
Alternative Parents
Lignan lactones Terpene lactones Aromatic monoterpenoids Menthane monoterpenoids Bicyclic monoterpenoids Benzodioxoles Benzylethers Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Dithioketals Dithianes Gamma butyrolactones Oxolanes Carboxylic acid esters Dialkylthioethers Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Terpene lactone - Monoterpenoid - Bicyclic monoterpenoid - P-menthane monoterpenoid - Aromatic monoterpenoid - Benzylether - Benzodioxole - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Dithioketal - Benzenoid - Gamma butyrolactone - 1,3-dithiane - Monocyclic benzene moiety - Thioacetal - Oxolane - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Dialkyl ether - Acetal - Carboxylic acid derivative - Thioether - Dialkylthioether - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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