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Substance Name: Wilforine
RN: 11088-09-8
InChIKey: ZOCKGJZEUVPPPI-QSNSFFMXSA-N

Note

  • Isolated from Tripterygium wilfordii.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C43-H49-N-O18

Molecular Weight

  • 867.849
 
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Names and Synonyms

Results Name

  • Wilforine

Synonyms

  • 26-Deoxywilfordine
  • 4-27-00-06847 (Beilstein Handbook Reference)
  • BRN 0078156

Systematic Names

  • Evonimine, 8-(acetyloxy)-O(sup 2)-benzoyl-O(sup 2)-deacetyl-8-deoxo-, (8-alpha)-
  • Wilforine (8CI)

Registry Numbers

CAS Registry Number

  • 11088-09-8

System Generated Number

  • 0011088098

Structure Descriptors

InChI

1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1

InChIKey

ZOCKGJZEUVPPPI-QSNSFFMXSA-N

Smiles

O1[C@]2(COC(c3c(nccc3)CC[C@@H](C(O[C@@H]3[C@@]([C@]41[C@@]([C@H](OC(=O)C)[C@H]3OC(=O)c1ccccc1)([C@H](OC(=O)C)[C@@H]([C@H]2[C@H]4OC(=O)C)OC(=O)C)COC(=O)C)(O)C)=O)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 418mg/kg (418mg/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 25, Pg. 266, 1990.