Methyl (15S,16R,18R)-15-Methyl-3-Oxo-23-Propoxy-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 C30H27N3O6
IUPAC Name methyl (15s,16r,18r)-15-methyl-3-oxo-23-propoxy-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 525.552 g·mol−1
Heat of Formation -392.5 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 583.3 Å 3
Surface Area 463.01 Å 2
HOMO Energy -7.74 ± 0.55 eV
LUMO Energy -0.83 ± 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-10-hydroxy-9-methyl-1-oxo-16-propoxy-, methyl ester, (9alpha,10beta,12alpha)-
  • 9-hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1h,8h,11h-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
  • kt 5926
  • kt-5926
CAS Number(s)
  • 126643-38-7
InChIKey SLLLSIAIIFCYHO-RLDZSICGSA-N
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