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Substance Name: 11-Ketofistularin 3
RN: 142755-09-7
InChIKey: SGBKFQBILVXVCY-UHFFFAOYSA-N

Note

  • Isolated from the marine sponge Aplysina archeri.

Molecular Formula

  • C31-H28-Br6-N4-O11

Molecular Weight

  • 1112.0
 
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Names and Synonyms

Name of Substance

  • 11-Ketofistularin 3

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, 7,9-dibromo-N-(3-(2,6-dibromo-4-(2-(((7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro(4.5)deca-2,6,8-trien-3-yl)carbonyl)amino)-1-hydroxyethyl)phenoxy)-2-oxopropyl)-10-hydroxy-8-methoxy-

Registry Numbers

CAS Registry Number

  • 142755-09-7

System Generated Number

  • 0142755097

Structure Descriptors

InChI

1S/C31H28Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,20,26-27,43-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)

InChIKey

SGBKFQBILVXVCY-UHFFFAOYSA-N

Smiles

O1N=C(C[C@@]21C=C(C(=C([C@@H]2O)Br)OC)Br)C(=O)NCC(COc1c(cc(cc1Br)[C@@H](CNC(=O)C1=NO[C@@]2(C1)C=C(C(=C([C@@H]2O)Br)OC)Br)O)Br)=O