(2S,3R,4R,6R,18S)-18-Hydroxy-3-Methoxy-2-Methyl-4-(Methylamino)-29-Oxa-1,7,17-Triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]Nonacosa-8,10,12,14,19,21,23,25,27-Nonaen-16-One

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Formula C28H26N4O4
IUPAC Name (2s,3r,4r,6r,18s)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1 2,6 .0 7,28 .0 8,13 .0 15,19 .0 20,27 .0 21,26 ]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Molecular Mass 482.530 g·mol−1
Heat of Formation -266.8 ± 16.7 kJ·mol−1
Dipole Moment 9.91 ± 1.08 D
Volume 538.92 Å 3
Surface Area 402.68 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 8,12-epoxy-1h,8h-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-3-hydroxy-9-methoxy-8-methyl-10-(methylamino)-
  • 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazon-1-one, 2,3,10,11,12,13-hexahydro-3-hydroxy-10-methoxy-9-methyl-11-(methylamino)-, (3-alpha,9-alpha,10-beta,11-beta,13-alpha)-
  • ucn 02
CAS Number(s)
  • 121569-61-7
InChIKey PBCZSGKMGDDXIJ-KRUBCLEUSA-N
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