Compound Identification
SMILES
OC([C@H]1O[C@](O)(N=C=S)[C@@](O)(C(=O)C2=CC=CC=C2)[C@@]1(O)C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=JRLMSFMFVKLOTC-MMIGHCPUSA-N
Formula
C27H21NO8S
Mass
519.52
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 Dibenzylbutyrolactols
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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
Dibenzylbutyrolactols
Alternative Parents
Alkyl-phenylketones Pentoses Aryl alkyl ketones Benzoyl derivatives Acyloins Tertiary alcohols Alpha-hydroxy ketones Oxolanes Isothiocyanates Secondary alcohols Orthocarboxylic acid derivatives Polyols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dibenzylbutyrolactol - Alkyl-phenylketone - Pentose monosaccharide - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Monosaccharide - Acyloin - Benzenoid - Alpha-hydroxy ketone - Oxolane - Tertiary alcohol - Isothiocyanate - Ketone - Orthocarboxylic acid derivative - Secondary alcohol - Alkanolamine - Organoheterocyclic compound - Polyol - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aldehyde - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutyrolactols. These are lignan compounds containing a 3,4-dibenzyloxolan-2-ol moiety.
External Descriptors
Not available