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Substance Name: Wilfortrine
RN: 37239-48-8
InChIKey: JOKOHWLSQAZHFX-MIFXYLFUSA-N

Note

  • From Trypterygium wilfordii Hook.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C41-H47-N-O20

Molecular Weight

  • 873.809
 
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Names and Synonyms

Name of Substance

  • Wilfortrine

Synonyms

  • 4-27-00-06848 (Beilstein Handbook Reference)
  • BRN 0078296
  • Wilfortrine

Systematic Name

  • Evonimine, 8-(acetyloxy)-O(sup 2)-deacetyl-8-deoxo-O(sup 2)-(3-furanylcarbonyl)-26-hydroxy-, (8-alpha)-

Registry Numbers

CAS Registry Number

  • 37239-48-8

System Generated Number

  • 0037239488

Structure Descriptors

InChI

1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37?,38+,39+,40-,41+/m1/s1

InChIKey

JOKOHWLSQAZHFX-MIFXYLFUSA-N

Smiles

O1[C@]2(COC(c3c(nccc3)CC[C@@](C(O[C@@H]3[C@@]([C@]41[C@@]([C@H](OC(=O)C)[C@H]3OC(c1cocc1)=O)([C@H](OC(=O)C)[C@@H]([C@H]2[C@H]4OC(=O)C)OC(=O)C)COC(=O)C)(O)C)=O)(O)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 380mg/kg (380mg/kg)   Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 25, Pg. 266, 1990.