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11088-09-8

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11088-09-8 Structure

11088-09-8 Structure
IdentificationBack Directory
[Name]

WILFORINE
[CAS]

11088-09-8
[Synonyms]

WILFORINE
26-Deoxywilfordine
(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
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,12S,13R,14R,15S,18S,21S,22S,23R)-
[Molecular Formula]

C43 H49 N O18
[MDL Number]

MFCD01726768
[MOL File]

11088-09-8.mol
[Molecular Weight]

867.85
Chemical PropertiesBack Directory
[Melting point ]

158-163℃
[Boiling point ]

871.5±65.0 °C(Predicted)
[density ]

1.41
[solubility ]

Soluble in methan
[form ]

powder
[pka]

11.70±0.70(Predicted)
[color ]

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
Hazard InformationBack Directory
[Description]

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

White crystalline powder, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from Tripterygium wilfordii and Begonia truncatum.
[Uses]

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

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

Beroza.,J. Arner. Chern. Soc., 74,3656 (1952) Beroza., ibid, 75,44 (1953)
Safety DataBack Directory
[Toxicity]

LD50 intraperitoneal in mouse: 418mg/kg
Spectrum DetailBack Directory
[Spectrum Detail]

WILFORINE(11088-09-8)1HNMR
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