(4R,5R)-Antillatoxin

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Formula C28H45N3O5
IUPAC Name (6s,9s,14r,15r)-6-isopropyl-7,9,14-trimethyl-13-methylene-15-[(1e,3e)-1,3,5,5-tetramethylhexa-1,3-dienyl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
Molecular Mass 503.674 g·mol−1
Heat of Formation -1050.4 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 670.77 Å 3
Surface Area 471.56 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,9s,14r,15r)-6-isopropyl-7,9,14-trimethyl-13-methylene-15-[(1e,3e)-1,3,5,5-tetramethylhexa-1,3-dienyl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-diquinone
  • (6s,9s,14r,15r)-6-isopropyl-7,9,14-trimethyl-13-methylene-15-[(1e,3e)-1,3,5,5-tetramethylhexa-1,3-dienyl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
  • (6s,9s,14r,15r)-7,9,14-trimethyl-13-methylidene-6-propan-2-yl-15-[(2e,4e)-4,6,6-trimethylhepta-2,4-dien-2-yl]-1-oxa-4,7,10-triazacyclopentadecane-2,5,8,11-tetrone
InChIKey WNMROEVYEZDXEL-OITYILOZSA-N
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