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Substance Name: Yadanzioside F
RN: 95258-11-0
InChIKey: BYBDRFPMKPUWDZ-NBVZOQEMSA-N

Note

  • Toxic principle from the Indonesian plant Brucea javanica.

Classification Code

  • Natural Product

Molecular Formula

  • C29-H38-O16

Molecular Weight

  • 642.603
 
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Names and Synonyms

Name of Substance

  • Yadanzioside F

Synonyms

  • BRN 5700475
  • Yadanzioside F

Systematic Name

  • Picras-1-en-21-oic acid, 15-(acetyloxy)-11,12-dihydroxy-3,16-dioxo-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-, methyl ester, (11-beta,12-alpha,15-beta)-

Registry Numbers

CAS Registry Number

  • 95258-11-0

System Generated Number

  • 0095258110

Structure Descriptors

InChI

1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)45-14)42-10(2)31)23(37)19(36)21(28)27(11,3)6-12(15(9)32)43-25-18(35)17(34)16(33)13(7-30)44-25/h6,9,11,13-14,16-23,25,30,33-37H,5,7-8H2,1-4H3/t9-,11-,13+,14+,16+,17-,18+,19+,20+,21+,22+,23-,25+,27-,28+,29-/m0/s1

InChIKey

BYBDRFPMKPUWDZ-NBVZOQEMSA-N

Smiles

C1(=C[C@@]2([C@H]3[C@H]([C@@H]([C@@]4([C@H]5[C@@]3([C@@H](C[C@H]2[C@@H](C)C1=O)OC([C@@H]5OC(=O)C)=O)CO4)C(=O)OC)O)O)C)O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 250mg/kg (250mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 110, Pg. 834, 1990.
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 110, Pg. 834, 1990.