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Substance Name: Bastadin 8
RN: 127709-45-9
InChIKey: XRCOVLHHCDFIHF-DAQHDTCKSA-N

Note

  • From sponge Janthella basta.

Molecular Formula

  • C34-H27-Br5-N4-O9

Molecular Weight

  • 1035.13
 
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Names and Synonyms

Name of Substance

  • Bastadin 8

Systematic Names

  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))octatriconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 5,16,21,32,36-pentabromo-4,20,29-trihydroxy-, 12,25-dioxime
  • 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, 5,16,21,32,36-pentabromo-4,20,29-trihydroxy-, 12,25-dioxime

Registry Numbers

CAS Registry Number

  • 127709-45-9

System Generated Number

  • 0127709459

Structure Descriptors

InChI

1S/C34H27Br5N4O9/c35-19-13-18-1-2-27(19)51-28-11-15(5-20(36)30(28)45)3-4-40-33(47)24(42-49)9-16-7-22(38)32(23(39)8-16)52-29-12-17(6-21(37)31(29)46)10-25(43-50)34(48)41-14-26(18)44/h1-2,5-8,11-13,26,44-46,49-50H,3-4,9-10,14H2,(H,40,47)(H,41,48)/b42-24-,43-25-/t26-/m1/s1

InChIKey

XRCOVLHHCDFIHF-DAQHDTCKSA-N

Smiles

c1(cc2CCNC(C(\Cc3cc(c(Oc4cc(C\C(C(NC[C@H](c5cc(c(Oc(c2)c1O)cc5)Br)O)=O)=N\O)cc(c4O)Br)c(Br)c3)Br)=N\O)=O)Br