Jasplakinolide Ca

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Formula C36H45BrN4O7
IUPAC Name (4r,7r,10s,13s,16r,17r,19s)-7-[(2-bromoindol-1-ium-2-ylium-3-yl)methyl]-16-hydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylene-1-oxa-5,8,11-triazacyclononadecane-2,6,9,12-tetrone
Molecular Mass 725.669 g·mol−1
Heat of Formation -1152.9 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 823.98 Å 3
Surface Area 563.51 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey BJPMREHPIFRLGM-QKWMIRRZSA-N
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Elements H C O Br N