(4R,7R,10S,13R,15E,17R,19S)-7-[(2-Bromo-1H-Indol-3-Yl)Methyl]-4-(4-Hydroxyphenyl)-8,10,13,15,17,19-Hexamethyl-1-Oxa-5,8,11-Triazacyclononadec-15-Ene-2,6,9,12-Tetrone

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Formula C36H45BrN4O6
IUPAC Name (4r,7r,10s,13r,15e,17r,19s)-7-[(2-bromoindol-1-ium-2-ylium-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Molecular Mass 709.670 g·mol−1
Heat of Formation -989.9 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 832.47 Å 3
Surface Area 575.57 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,7r,10s,13r,15e,17r,19s)-7-[(2-bromo-1h-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-diquinone
  • beta-alanine, n-(2-bromo-n-(n-(8-hydroxy-2,4,6-trimethyl-1-oxo-4-nonenyl)-l-alanyl)-n-methyl-d-tryptophyl)-l-3-(4-hydroxyphenyl)-, p-lactone, (2s-(2r*,4e,6s*,8r*))-
  • cyclo[(3r)-3-(4-hydroxyphenyl)-.beta.-alanyl-(2s,4e,6r,8s)-8-hydroxy-2,4,6-trimethyl-4-nonenoyl-l-alanyl-2-bromo-n-methyl-d-tryptophyl]
  • jaspamide
  • jasplakinolide
CAS Number(s)
  • 102396-24-7
InChIKey GQWYWHOHRVVHAP-HZIRKPFGSA-N
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