(1As,1Bs,2S,5Ar,6S,6As)-2-(β-D-Glucopyranosyloxy)-1A-(Hydroxymethyl)-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-6-Yl 3,4-Dimethoxybenzoate

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Formula C24H30O13
IUPAC Name [(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3,4-dimethoxybenzoate
Molecular Mass 526.487 g·mol−1
Heat of Formation -1987.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 579.61 Å 3
Surface Area 489.09 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 56973-43-4
InChIKey JPLOCWOFCUFHBG-PIAIVMLOSA-N
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