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Substance Name: Bastadin 10
RN: 127687-08-5
InChIKey: YBDUMXZBKBTNGS-VEGWVUODSA-N

Note

  • Isolated from the marine sponge Anthella basta.

Molecular Formula

  • C34-H28-Br4-N4-O9

Molecular Weight

  • 956.2302
 
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Names and Synonyms

Name of Substance

  • Bastadin 10

Synonyms

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

Systematic Name

  • 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))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-tetrabromo-4,20,29-trihydroxy-, 12,25-dioxime

Registry Numbers

CAS Registry Number

  • 127687-08-5

System Generated Number

  • 0127687085

Structure Descriptors

InChI

1S/C34H28Br4N4O9/c35-20-7-16-1-3-27(20)50-30-13-18(9-23(38)32(30)45)11-25(42-49)34(47)40-15-26(43)19-2-4-28(21(36)14-19)51-29-12-17(8-22(37)31(29)44)5-6-39-33(46)24(10-16)41-48/h1-4,7-9,12-14,26,43-45,48-49H,5-6,10-11,15H2,(H,39,46)(H,40,47)/b41-24-,42-25+/t26-/m1/s1

InChIKey

YBDUMXZBKBTNGS-VEGWVUODSA-N

Smiles

c1cc2c(cc1C/C(=N/O)/C(=O)NCCc3cc(c(c(c3)Br)O)Oc4ccc(cc4Br)[C@@H](CNC(=O)/C(=N/O)/Cc5cc(c(c(c5)Br)O)O2)O)Br