(16R)-9-Hydroxy-10,25-Dimethoxy-15-Methyl-7,23-Dioxa-15,30-Diazaheptacyclo[22.6.2.2~3,6~.2~18,21~.1~8,12~.0~16,35~.0~27,31~]Heptatriaconta-1(31),3,5,8(35),9,11,18,20,24,26,33,36-Dodecaen-32-One

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Formula C36H36N2O6
IUPAC Name 3-[2-[2-(4-hydroperoxyphenyl)ethynyl]-3-(2-hydroxyethynyl)-5-methylidyneammonio-1-(oxomethylene)pent-4-ynoxy]prop-1-ynyl-methylidyne-ammonium; prop-1-yn-1-ol
Molecular Mass 592.681 g·mol−1
Heat of Formation -553.6 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 683.55 Å 3
Surface Area 498.44 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2~3,6~.2~18,21~.1~8,12~.0~16,35~.0~27,31~]heptatriaconta-1(30),3,5,8(35),9,11,18,20,24,26,31,33,36-tridecaene-9,32-diol (non-preferred
  • 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2e)-3-[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-[[[(2e)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]ethoxy]-3,5-dimethoxyphenyl]-2-propenyl ester, (2e)
InChIKey VIXBYMDTMAAFLR-MUUNZHRXSA-N
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