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Substance Name: Simalikalactone D
RN: 35321-80-3
InChIKey: OKIKYYZNNZCZRX-JCZOWBQHSA-N

Note

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

Molecular Weight

  • 478.535
 
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Names and Synonyms

Name of Substance

  • Simalikalactone D

Systematic Name

  • Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, (11beta)-

Registry Numbers

CAS Registry Number

  • 35321-80-3

System Generated Number

  • 0035321803

Structure Descriptors

InChI

1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25?/m1/s1

InChIKey

OKIKYYZNNZCZRX-JCZOWBQHSA-N

Smiles

O1C[C@@]23[C@H]4C[C@H]5C(=CC(=O)[C@H]([C@@]5(C)[C@H]2[C@H]([C@@H](O)[C@@]1(C)[C@@H]3[C@H](C(O4)=O)OC([C@@H](CC)C)=O)O)O)C