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Substance Name: Aerothionin
RN: 28714-26-3
InChIKey: BJWQSQOWGBUSFC-KBTIEJEYSA-N

Note

  • Has antineoplastic activity; isolated from a Red Sea sponge of the Suberea genus.

Molecular Formula

  • C24-H26-Br4-N4-O8

Molecular Weight

  • 818.1054
 
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Names and Synonyms

Results Name

  • Aerothionin

Synonyms

  • (+)-Aerothionin
  • Aerothionine

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N,N'-1,4-butanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-

Registry Numbers

CAS Registry Number

  • 28714-26-3

System Generated Number

  • 0028714263

Structure Descriptors

InChI

1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19?,20?,23-,24-/m1/s1

InChIKey

BJWQSQOWGBUSFC-KBTIEJEYSA-N

Smiles

COC1=C(Br)C(O)[C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C3=NO[C@@]4(C3)C=C(Br)C(=C(Br)C4O)OC)C=C1Br