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Substance Name: 14-Debromoaraplysillin I
RN: 136685-29-5
InChIKey: NMQGCYQSHLBLKC-ZQRQZVKFSA-N

Note

  • From sponge Druinella purpurea.

Molecular Formula

  • C21-H24-Br2-N3-O5

Molecular Weight

  • 638.1486
 
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Names and Synonyms

Name of Substance

  • 14-Debromoaraplysillin I

Systematic Name

  • 1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(4-(2-aminoethyl)-2-bromophenoxy)propyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 136685-29-5

System Generated Number

  • 0136685295

Structure Descriptors

InChI

1S/C21H24Br3N3O5/c1-30-18-14(23)10-21(19(28)17(18)24)11-15(27-32-21)20(29)26-7-2-8-31-16-4-3-12(5-6-25)9-13(16)22/h3-4,9-10,19,28H,2,5-8,11,25H2,1H3,(H,26,29)/t19-,21?/m0/s1

InChIKey

NMQGCYQSHLBLKC-ZQRQZVKFSA-N

Smiles

COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCCOc3ccc(cc3Br)CCN)C=C1Br)O)Br