Harpagide 7-Acetyl

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Formula C17H26O11
IUPAC Name [(1s,4as,5r,7s,7as)-4a,5-dihydroxy-7-methyl-1-[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
Molecular Mass 406.382 g·mol−1
Heat of Formation -2052.2 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 446.06 Å 3
Surface Area 358.45 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
InChIKey CAFTUQNGDROXEZ-YFOSYWSMSA-N
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Elements H C O