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Substance Name: Bruceolide
RN: 25514-28-7
InChIKey: YLWQKYSDNGHLAO-PWRINDRCSA-N

Molecular Formula

  • C21-H26-O10

Molecular Weight

  • 438.426
 
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Names and Synonyms

Results Name

  • Bruceolide

Synonyms

  • Bruceolide
  • Methyl (11beta,12alpha,15beta)-13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxopicras-3-en-21-oate
  • NSC 238185

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25514-28-7

System Generated Number

  • 0025514287

Structure Descriptors

InChI

1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3/t8-,10+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1

InChIKey

YLWQKYSDNGHLAO-PWRINDRCSA-N

Smiles

C1([C@@H]([C@@H]2[C@@]34[C@H](C[C@@H]5[C@@](CC(C(=C5C)O)=O)(C)[C@H]4[C@H]([C@@H]([C@]2(OC3)C(=O)OC)O)O)O1)O)=O