(15S,16S,18R)-4-Amino-16-Hydroxy-16-(Hydroxymethyl)-15-Methyl-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaene-3,5-Dione

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Formula C26H20N4O5
IUPAC Name (15s,16s,18r)-4-amino-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaene-3,5-dione
Molecular Mass 468.461 g·mol−1
Heat of Formation -325.1 ± 16.7 kJ·mol−1
Dipole Moment 9.82 ± 1.08 D
Volume 497.88 Å 3
Surface Area 398.0 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (9s-(9alpha,10alpha,12alpha))-2-amino-9,10,11,12-tetrahydro-10-hy droxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1h-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-1,3(2h)-dione
  • 9,12-epoxy-1h-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-1,3(2h)-dione, 2-amino-9,10,11,12-tetrahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-, (9s-(9alpha,10alpha,12alpha))-
  • kt 6124
  • kt-6124
CAS Number(s)
  • 118777-50-7
InChIKey JDUCOLPKZDHTNA-YIUNNBJSSA-N
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