(2S,3S,4R,6R)-4-(Dimethylamino)-3-Methoxy-2-Methyl-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

Molecule SVG Image

Properties Simple | Detailed

Formula C29H28N4O3
IUPAC Name (2s,3s,4r,6r)-4-(dimethylamino)-3-methoxy-2-methyl-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 480.558 g·mol−1
Heat of Formation -81.5 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 548.81 Å 3
Surface Area 407.94 Å 2
HOMO Energy -7.66 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 11-(dimethylamino)-2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one (9r-(9alpha,10beta,11beta,13alpha))-
  • 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one, 11-(dimethylamino)-2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-, (9r-(9alpha,10beta,11beta,13alpha))-
  • n,n-dimethylstaurosporine
CAS Number(s)
  • 129623-30-9
InChIKey NJFTXXMZGIINOF-RIGRGULHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N