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Substance Name: Aplysinamisine III
RN: 150417-69-9
InChIKey: WGLJDQYUOYCSPY-UHFFFAOYSA-N

Note

  • Isolated from the Caribbean sponge Aplysina cauliformis.

Molecular Weight

  • 775.081
 
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Names and Synonyms

Name of Substance

  • Aplysinamisine III

Synonym

  • Aplysinamisine-III

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 150417-69-9

System Generated Number

  • 0150417699

Structure Descriptors

InChI

1S/C23H25Br4N3O7/c1-11(31)29-10-17(32)12-6-13(24)19(14(25)7-12)36-5-3-4-28-22(34)16-9-23(37-30-16)8-15(26)20(35-2)18(27)21(23)33/h6-8,17,21,32-33H,3-5,9-10H2,1-2H3,(H,28,34)(H,29,31)

InChIKey

WGLJDQYUOYCSPY-UHFFFAOYSA-N

Smiles

O1N=C(C[C@@]21C=C(C(=C([C@@H]2O)Br)OC)Br)C(=O)NCCCOc1c(cc(cc1Br)[C@@H](CNC(=O)C)O)Br