(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (CHEBI:67630)

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CHEBI:67630 - (−)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane

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ChEBI ID	CHEBI:67630
ChEBI Name	(−)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane
Stars
ASCII Name	(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane
Definition	A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 3,4,5-trimethoxyphenyl and a 4-hydroxy-3,5-dimethoxyphenyl group at positions 4 and 1 respectively. It has been isolated from the stems of Sinocalamus affinis.
Last Modified	6 October 2014
Downloads	Molfile

Formula	C23H28O8
Net Charge	0
Average Mass	432.469
Monoisotopic Mass	432.17842
SMILES	[H][C@@]12CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@]1([H])CO[C@H]2c1cc(OC)c(O)c(OC)c1
InChI	InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1
InChIKey	AJMQKDTUOKAQNT-SDVFQCAASA-N

Species of Metabolite	Component	Source	Comments
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-7,9':7',9-diepoxylignane (CHEBI:67630) has role plant metabolite (CHEBI:76924)
	(−)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (CHEBI:67630) is a furofuran (CHEBI:47790)
	(−)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (CHEBI:67630) is a lignan (CHEBI:25036)
	(−)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (CHEBI:67630) is a methoxybenzenes (CHEBI:51683)
	(−)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (CHEBI:67630) is a phenols (CHEBI:33853)

IUPAC Name
2,6-dimethoxy-4-[(1R,3aS,4R,6aS)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol

Registry Numbers	Sources
Reaxys:21559774	Reaxys

Citations