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Substance Name: Bruceine A
RN: 25514-31-2
InChIKey: LPZSTPCYWWRQFU-VILODJCFSA-N

Note

  • Quassinoid which inhibits protein synthesis & DNA synthesis in cells.

Molecular Formula

  • C26-H34-O11

Molecular Weight

  • 522.544
 
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Names and Synonyms

Name of Substance

  • Bruceine A

Synonyms

  • BRUCEIN A
  • Isobruceine A
  • NSC 310616

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25514-31-2

System Generated Number

  • 0025514312

Structure Descriptors

InChI

1S/C26H34O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h10,12,14,17-21,29-31H,6-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1

InChIKey

LPZSTPCYWWRQFU-VILODJCFSA-N

Smiles

C1(=O)C(O)=C([C@H]2[C@@](C1)([C@H]1[C@@H](O)[C@H](O)[C@@]3([C@H]4[C@@]1([C@@H](C2)OC([C@@H]4OC(CC(C)C)=O)=O)CO3)C(OC)=O)C)C