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CHEBI:67629 - (+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol

ChEBI IDCHEBI:67629
ChEBI Name(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol
Stars
ASCII Name(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol
DefinitionA lignan isolated from the stems of Sinocalamus affinis.
Last Modified8 October 2014
DownloadsMolfile
FormulaC23H30O9
Net Charge0
Average Mass450.484
Monoisotopic Mass450.18898
SMILESCOc1cc([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](CO)[C@H]2CO)cc(OC)c1O
InChIInChI=1S/C23H30O9/c1-27-16-6-12(7-17(28-2)20(16)26)21-14(10-24)15(11-25)22(32-21)13-8-18(29-3)23(31-5)19(9-13)30-4/h6-9,14-15,21-22,24-26H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1
InChIKeyTXNROPYUDLUIHU-SDVFQCAASA-N
Species of MetaboliteComponentSourceComments
Sinocalamus affinis (IPNI:421970-1) stem (BTO:0001300) PubMed (21469695) 95% Ethanolic extract of skin-removed, air-dried, powdered stems.
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) has role plant metabolite (CHEBI:76924)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a lignan (CHEBI:25036)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a methoxybenzenes (CHEBI:51683)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a oxolanes (CHEBI:26912)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a phenols (CHEBI:33853)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a primary alcohol (CHEBI:15734)
IUPAC Name 
4-[(2R,3S,4S,5R)-3,4-bis(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Registry NumbersSources
Reaxys:26278236Reaxys
Citations