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Substance Name: Aplysinketal A
RN: 129138-56-3
InChIKey: IKUMLOOFWYUABH-BETUJISGSA-N

Molecular Formula

  • C13-19-Br2-N-O4

Molecular Weight

  • 413.104
 
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Names and Synonyms

Results Name

  • Aplysinketal A

Synonym

  • Aplysinketal A

Systematic Name

  • Apl2,5-Cyclohexadiene-1-acetamide, 3,5-dibromo-4-butoxy-1-hydroxy-4-methoxy-, cis-

Registry Numbers

CAS Registry Number

  • 129138-56-3

System Generated Number

  • 0129138563

Structure Descriptors

InChI

1S/C13H19Br2NO4/c1-3-4-5-20-13(19-2)9(14)6-12(18,7-10(13)15)8-11(16)17/h6-7,18H,3-5,8H2,1-2H3,(H2,16,17)/t12-,13+

InChIKey

IKUMLOOFWYUABH-BETUJISGSA-N

Smiles

C=1[C@@](C=C([C@@](C1Br)(OC)OCCCC)Br)(CC(=O)N)O