Hexyl (15R,16R,18S)-16-Hydroxy-15-Methyl-3-Oxo-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-16-Carboxylate

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Formula C32H31N3O5
IUPAC Name hexyl (15r,16r,18s)-16-hydroxy-15-methyl-3-oxo-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-16-carboxylate
Molecular Mass 537.606 g·mol−1
Heat of Formation -579.5 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 617.63 Å 3
Surface Area 462.55 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,10s,12r)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1h-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid hexyl ester
InChIKey ZHEHVZXPFVXKEY-IKZDWWSZSA-N
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