(1R,15S,16R)-9,10,26-Trimethoxy-15,31-Dimethyl-7,24,34-Trioxa-15,31-Diazaoctacyclo[19.10.3.2~3,6~.1~8,12~.1~18,22~.0~16,36~.0~25,33~.0~28,32~]Octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-Dodecaene 15-Oxide

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Formula C38H40N2O7
IUPAC Name (1r,15s,16r)-9,10,26-trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.2 3,6 .1 8,12 .1 18,22 .0 16,36 .0 25,33 .0 28,32 ]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dodecaene 15-oxide
Molecular Mass 636.733 g·mol−1
Heat of Formation -548.2 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 735.83 Å 3
Surface Area 522.79 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • insularine-2-n-oxide
CAS Number(s)
  • 152579-37-8
InChIKey DAFGPYIDXUGEMR-BAQLPNFASA-N
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