(2S,11R,11As)-2,8-Dihydroxy-7,11-Dimethoxy-1,2,3,10,11,11A-Hexahydro-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One

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Formula C14H18N2O5
IUPAC Name (6r,6as,8s)-3,8-dihydroxy-2,6-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular Mass 294.303 g·mol−1
Heat of Formation -772.5 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 330.86 Å 3
Surface Area 286.38 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-2,8-dihydroxy-7,11-dimethoxy-, (2s-(2-alpha,11-alpha,11b-beta))-
  • chicamycin a
CAS Number(s)
  • 89675-37-6
InChIKey FDZKMDGYTVIWIB-LCWDIZFYSA-N
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