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Substance Name: Bastadin 9
RN: 127687-07-4
InChIKey: IHQGNSPVGIMQBJ-ZHEAWEGVSA-N

Note

  • From Janthella basta.

Molecular Weight

  • 940.231
 
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Names and Synonyms

Name of Substance

  • Bastadin 9

Systematic Name

  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.214,17.13,7.119,23)octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,20-dihydroxy-, 12,25-dioxime, (E,E)-

Registry Numbers

CAS Registry Number

  • 127687-07-4

System Generated Number

  • 0127687074

Structure Descriptors

InChI

1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,46)(H,40,45)/b41-25-,42-26-

InChIKey

IHQGNSPVGIMQBJ-ZHEAWEGVSA-N

Smiles

c1cc(c2Oc3ccc(CCNC(C(\Cc4cc(Oc5c(cc(CC(\C(=O)NCCc1c2)=N/O)cc5Br)Br)c(O)c(c4)Br)=N\O)=O)cc3Br)O