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Substance Name: Bruceoside B
RN: 69687-69-0
InChIKey: JMEAKUYWADWLJX-PKMWWCJOSA-N

Note

  • Toxic principle found in Indonesian plant Brucea javanica.

Classification Code

  • Natural Product

Molecular Formula

  • C32-H42-O16

Molecular Weight

  • 682.668
 
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Names and Synonyms

Name of Substance

  • Bruceoside B

Synonym

  • Bruceoside B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 69687-69-0

System Generated Number

  • 0069687690

Structure Descriptors

InChI

1S/C32H42O16/c1-11(2)6-17(35)47-23-25-31-10-44-32(25,29(42)43-5)26(40)21(39)24(31)30(4)8-14(34)22(12(3)13(30)7-16(31)46-27(23)41)48-28-20(38)19(37)18(36)15(9-33)45-28/h6,13,15-16,18-21,23-26,28,33,36-40H,7-10H2,1-5H3/t13-,15+,16+,18+,19-,20+,21+,23+,24+,25+,26-,28-,30-,31+,32-/m0/s1

InChIKey

JMEAKUYWADWLJX-PKMWWCJOSA-N

Smiles

C=1(C(C[C@@]2([C@H]3[C@H]([C@@H]([C@@]4([C@H]5[C@@]3([C@@H](C[C@@H]2C1C)OC([C@@H]5OC(\C=C(/C)C)=O)=O)CO4)C(=O)OC)O)O)C)=O)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 LDLo oral 250mg/kg (250mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 110, Pg. 834, 1990.
mouse LDLo oral 250mg/kg (250mg/kg) LIVER: FATTY LIVER DEGERATION Yakugaku Zasshi. Journal of Pharmacy. Vol. 110, Pg. 834, 1990.