(2S,3S,4R,6S,18R)-3,18-Dimethoxy-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 C29H28N4O4
IUPAC Name (2s,3s,4r,6s,18r)-3,18-dimethoxy-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 496.557 g·mol−1
Heat of Formation -139.1 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 563.7 Å 3
Surface Area 448.15 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,9beta,10alpha,11alpha,13beta)-2,3,10,11,12,13-hexahydro-3,10-dimethoxy-9-methyl-11-(methylamino)-9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one
  • 7-o-methyl ucn-01
  • 7-o-methyl-ucn 01
  • 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-3,10-dimethoxy-9-methyl-11-(methylamino)-, (3alpha,9beta,10alpha,11alpha,13beta)-
  • ucn-01-me
CAS Number(s)
  • 125133-74-6
InChIKey HMFXRYBLHSRYJD-IQRRFOAXSA-N
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