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Substance Name: 11-Oxoaerothionin
RN: 73622-23-8
InChIKey: LPBNXOLVSVGFDX-CSKPTYFESA-N

Note

  • A bromotyrosine-derived alkaloid isolated from the marine sponge Aplysina lucunosa.

Molecular Weight

  • 832.089
 
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Names and Synonyms

Name of Substance

  • 11-Oxoaerothionin

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N,N'-(2-oxo-1,4-butanediyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-, (3(5'R*,10'S*),5alpha,10beta)-(+)-

Registry Numbers

CAS Registry Number

  • 73622-23-8

System Generated Number

  • 0073622238

Structure Descriptors

InChI

1S/C24H24Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,19-20,34-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t19-,20-,23?,24?/m0/s1

InChIKey

LPBNXOLVSVGFDX-CSKPTYFESA-N

Smiles

C(C(CCNC(=O)C1=NO[C@@]2(C1)C=C(C(=C([C@@H]2O)Br)OC)Br)=O)NC(=O)C1=NO[C@@]2(C1)C=C(C(=C([C@@H]2O)Br)OC)Br