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Substance Name: Bruceoside F
RN: 167782-24-3
InChIKey: HLVUVKGKEFOUCN-RMZKDFQYSA-N

Note

  • Isolated from Brucea javanica.

Molecular Formula

  • C35-H46-O18

Molecular Weight

  • 754.7304
 
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Names and Synonyms

Results Name

  • Bruceoside F

Synonyms

  • (+)-Bruceoside F
  • Bruceoside F
  • Bruceoside-F

Systematic Name

  • Picras-1-en-21-oic acid, 15-((4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-, (11beta,12alpha,15beta(E))-

Registry Numbers

CAS Registry Number

  • 167782-24-3

System Generated Number

  • 0167782243

Structure Descriptors

InChI

1S/C35H46O18/c1-12(32(4,5)53-14(3)37)7-19(38)52-25-27-34-11-48-35(27,31(46)47)28(44)24(43)26(34)33(6)9-16(20(39)13(2)15(33)8-18(34)51-29(25)45)49-30-23(42)22(41)21(40)17(10-36)50-30/h7,9,13,15,17-18,21-28,30,36,40-44H,8,10-11H2,1-6H3,(H,46,47)/b12-7+/t13-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,33-,34+,35-/m0/s1

InChIKey

HLVUVKGKEFOUCN-RMZKDFQYSA-N

Smiles

C[C@H]1[C@@H]2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)O