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Substance Name: N,O-Diacetylcadabicine
RN: 99964-84-8
InChIKey: BPYMTHTWCPMYQF-BMJMZVRVSA-N

Molecular Formula

  • C29-H33-N3-O6

Molecular Weight

  • 519.595
 
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Names and Synonyms

Results Name

  • N,O-Diacetylcadabicine

Synonyms

  • Cadabicine diacetate
  • N,O-Diacetylcadabicine
  • N-Acetylcadabicine acetate

Systematic Name

  • 2-Oxa-11,16,20-triazatricyclo(22.2.2.13,7)nonacosa-3,5,7(29),8,22,24,26,27-octaene-10,21-dione, 16-acetyl-4-(acetyloxy)-, (E,E)-

Registry Numbers

CAS Registry Number

  • 99964-84-8

System Generated Number

  • 0099964848

Structure Descriptors

InChI

1S/C29H33N3O6/c1-21(33)32-18-4-3-16-30-29(36)15-10-24-8-13-26(37-22(2)34)27(20-24)38-25-11-6-23(7-12-25)9-14-28(35)31-17-5-19-32/h6-15,20H,3-5,16-19H2,1-2H3,(H,30,36)(H,31,35)/b14-9+,15-10-

InChIKey

BPYMTHTWCPMYQF-BMJMZVRVSA-N

Smiles

C(C)(=O)N1CCCCNC(C=Cc2cc(Oc3ccc(cc3)C=CC(NCCC1)=O)c(cc2)OC(=O)C)=O