(7R,8R,9S,10R)-8-Hydroxy-10-Methoxy-7-({(3E)-3-[1-(Methoxyamino)Ethylidene]-8-Methyl-2,4-Dioxo-3,4-Dihydro-2H-Chromen-7-Yl}Oxy)-6-Oxaspiro[4.5]Dec-9-Yl (2-Propyn-1-Yloxy)Carbamate

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Properties Simple | Detailed

Formula C27H32N2O11
IUPAC Name [(7r,8r,9s,10r)-8-hydroxy-10-methoxy-7-[(3e)-3-[1-(methoxyamino)ethylidene]-8-methyl-2,4-dioxo-chroman-7-yl]oxy-6-oxaspiro[4.5]decan-9-yl] n-prop-2-ynoxycarbamate
Molecular Mass 560.550 g·mol−1
Heat of Formation -1320.1 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 636.88 Å 3
Surface Area 534.38 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(7r,8r,9s,10r)-8-hydroxy-10-methoxy-7-[(3e)-3-[1-(methoxyamino)ethylidene]-8-methyl-2,4-dioxo-chroman-7-yl]oxy-6-oxaspiro[4.5]decan-9-yl] n-prop-2-ynoxycarbamate
  • [(7r,8r,9s,10r)-8-hydroxy-10-methoxy-7-[(3e)-3-[1-(methoxyamino)ethylidene]-8-methyl-2,4-dioxochroman-7-yl]oxy-6-oxaspiro[4.5]decan-9-yl] n-prop-2-ynoxycarbamate
  • n-propargyloxycarbamic acid [(7r,8r,9s,10r)-7-[(3e)-2,4-diketo-3-[1-(methoxyamino)ethylidene]-8-methyl-chroman-7-yl]oxy-8-hydroxy-10-methoxy-6-oxaspiro[4.5]decan-9-yl] ester
InChIKey AWPYHAYBTQLBIX-VNZHQTJNSA-N
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