Methyl (15S,16R,18R)-16-Methoxy-4,15-Dimethyl-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-Carboxylate

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Properties Simple | Detailed

Formula C29H25N3O5
IUPAC Name methyl (15s,16r,18r)-16-methoxy-4,15-dimethyl-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-carboxylate
Molecular Mass 495.526 g·mol−1
Heat of Formation -417.0 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 553.24 Å 3
Surface Area 433.9 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy 2.31 ± 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-methoxy-2,9-dimethyl-1-oxo-, methyl ester, (9r,10r,12r)-
  • 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-methoxy-2,9-dimethyl-1-oxo-, methyl ester, (9r-(9alpha,10beta,12alpha))-
  • 9-methoxy-9-methoxycarbonyl-8-methyl-2,3,9,10-tetrahydro-8,11-epxoy-1h,8h,11h-2,7b-11a-triazadibenzo(a,g)cycloocta(cde)-trinden-1-one
  • kt 5823
CAS Number(s)
  • 126643-37-6
InChIKey QTYMDECKVKSGSM-YMUMJAELSA-N
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