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WILFORINE

WILFORINE ??? ???
?? ??:
11088-09-8
???:
WILFORINE
???(??):
WILFORINE;Wilforine-RM;26-Deoxywilfordine;Wilforine (Standard);Wilforine, 10 mM in DMSO;(8α)-8-(Acetyloxy)-2-O-benzoyl-2-O-deacetyl-8-deoxoevonimine;Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)-;(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-m;8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,1;(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione
CBNumber:
CB1994119
???:
C43H49NO18
??? ??:
867.85
MOL ??:
11088-09-8.mol

WILFORINE ??

???
158-163℃
?? ?
871.5±65.0 °C(Predicted)
??
1.41
???
Soluble in methan
??? ??
??
?? ?? (pKa)
11.70±0.70(Predicted)
??
White-yellowish
InChIKey
ZOCKGJZEUVPPPI-UHFFFAOYSA-N
SMILES
C(C12C(C(OC(C3C=CC=CC=3)=O)C3OC(C(CCC4=NC=CC=C4C(=O)OCC4(C)C(C(OC(=O)C)C1OC(=O)C)C(OC(=O)C)C2(C3(O)C)O4)C)=O)OC(=O)C)OC(=O)C
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
?? LD50 intraperitoneal in mouse: 418mg/kg
????(GHS): Skull and Crossbones (GHS06)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H301 ??? ??? ?? ?? ?? - ?? ?? 3 ?? P264, P270, P301+P310, P321, P330,P405, P501
H311 ??? ???? ??? ?? ?? ?? - ?? ?? 3 ?? P280, P302+P352, P312, P322, P361,P363, P405, P501
H331 ???? ??? ?? ?? ?? ?? ?? 3 ?? P261, P271, P304+P340, P311, P321,P403+P233, P405, P501
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P271 ?? ?? ??? ? ?? ???? ?????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P310 ?? ????(??)? ??? ????. ???? ?? ????(??)? ??? ????.
P330 ?? ?????.
P361 ?? ??? ??? ?? ?? ?
P403+P233 ??? ??? ? ?? ?? ??? ???? ?????.
P405 ???? ?????.
P501 ...? ??? / ??? ?? ???.

WILFORINE C??? ??, ??, ??

??

Present in Tripterygiurn wilfordii Hook, this base forms colourless plates when crystallized from MeOH-Me2CO. It has [α]25/sup>D + 30° (Me2CO).

??

Wilforine is a major bioactive sesquiterpene alkaloid extracted from Tripterygium wifordii Hook F. displaying anti-inflammatory activity.

??

ChEBI: An organic heteropentacyclic compound and pyridine alkaloid with formula C43H49NO18 originally isolated from the roots of Tripterygium wilfordii.

?? ??

Beroza.,J. Arner. Chern. Soc., 74,3656 (1952) Beroza., ibid, 75,44 (1953)

WILFORINE ?? ?? ? ???

???

?? ??


WILFORINE ?? ??

???( 162)?? ??
??? ?? ??? ?? ?? ? ??
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WILFORINE ?? ??:

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