Methyl (15S,16S,18R)-10,23-Dihydroxy-15-Methyl-3-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaene-16-Carboperoxoate

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Formula C27H21N3O7
IUPAC Name methyl (15s,16s,18r)-10,23-dihydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboperoxoate
Molecular Mass 499.472 g·mol−1
Heat of Formation -552.7 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 536.85 Å 3
Surface Area 435.11 Å 2
HOMO Energy -7.95 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 9,12-epoxy-1h-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-5,10,16-trihydroxy-9-methyl-1-oxo-, methyl ester, (9s-(9alpha,10alpha,12alpha))-
  • kt 6006
  • kt-6006
CAS Number(s)
  • 118736-03-1
InChIKey JKEBWJSRGQOXNU-TUZCJGOLSA-N
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