(2S,3R,4R,6R)-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(13),14,19,21,23,25,27-Heptaen-16-One

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Formula C28H28N4O3
IUPAC Name (2s,3r,4r,6r)-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(13),14,19,21,23,25,27-heptaen-16-one
Molecular Mass 468.547 g·mol−1
Heat of Formation -192.1 ± 16.7 kJ·mol−1
Dipole Moment 9.44 ± 1.08 D
Volume 540.4 Å 3
Surface Area 407.13 Å 2
HOMO Energy -7.55 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4-tetrahydrogen-staurosporine
  • 4st
  • afn941
InChIKey KIZWKTROWIIMNN-FYTWVXJKSA-N
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