Ethyl [(2S,3S,4R,6S)-3-Methoxy-2-Methyl-16,18-Dioxo-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-4-Yl]Methylcarbamate

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Formula C31H28N4O6
IUPAC Name ethyl [(2s,3s,4r,6s)-3-methoxy-2-methyl-16,18-dioxo-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-4-yl]methylcarbamate
Molecular Mass 552.577 g·mol−1
Heat of Formation -532.5 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 611.21 Å 3
Surface Area 488.22 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • carbamic acid, (2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1,3-dioxo-9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)methyl-, ethyl ester, (9alpha,10beta,11beta,13alpha)-
  • n-ethoxycarbonyl-7-oxostaurosporine
  • na 382
  • na-382
CAS Number(s)
  • 143086-33-3
InChIKey YYDZNUMDZXMMCI-ZEMYHKRKSA-N
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