N-[(7S)-3-(β-D-Glucopyranosyloxy)-1,2,10-Trimethoxy-9-Oxo-5,6,7,9-Tetrahydrobenzo[A]Heptalen-7-Yl]Acetamide

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Properties Simple | Detailed

Formula C27H33NO11
IUPAC Name n-[(7s)-1,2,10-trimethoxy-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide
Molecular Mass 547.551 g·mol−1
Heat of Formation -1641.7 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 630.7 Å 3
Surface Area 474.04 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(7s)-1,2,10-trimethoxy-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-1,2,10-trimethoxy-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
  • n-[(7s)-1,2,10-trimethoxy-9-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-1,2,10-trimethoxy-9-oxo-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-9-keto-1,2,10-trimethoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
InChIKey UXAFRQPVHYZDED-ZZEDUEFDSA-N
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