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Substance Name: Bruceine D
RN: 21499-66-1
InChIKey: JBDMZGKDLMGOFR-DFEKUIMESA-N

Note

  • From fructus of Brucea javanica (Chinese name Yadanzi).

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H26-O9

Molecular Weight

  • 410.416
 
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Names and Synonyms

Name of Substance

  • Bruceine D

Synonyms

  • Brucein D
  • Bruceine D
  • NSC 318801

Systematic Names

  • 5H-3,11c-beta-(Epoxymethano)phenanthro(10,1-bc)pyran-5,10(6a-beta-H)-dione, 1,2,3,3a,4,7,7a-alpha,11,11a,11b-alpha-decahydro-1-beta,2-alpha,3a-beta,4-beta,11-beta-pentahydroxy-3-alpha,8,11a-beta-trimethyl-, (-)-
  • Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12,14,15-pentahydroxy-, (1beta,11beta,12alpha,15beta)-

Registry Numbers

CAS Registry Number

  • 21499-66-1

System Generated Number

  • 0021499661

Structure Descriptors

InChI

1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18-,19+,20+/m0/s1

InChIKey

JBDMZGKDLMGOFR-DFEKUIMESA-N

Smiles

C1([C@@H]([C@@]2([C@@]34[C@@H]([C@@]5([C@@H](C(=O)C=C([C@@H]5C[C@@H]3O1)C)O)C)[C@H]([C@@H]([C@@]2(OC4)C)O)O)O)O)=O