18-Norpicrasan-1-One, 2,12-Bis(Acetyloxy)-11-((1,3-Benzodioxol-5-Ylcarbonyl)Oxy)-13-Hydroxy-16-Methoxy-, (2α,11α,12Beta,16Beta)-

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Formula C32H40O12
IUPAC Name [(1s,2s,4s,7r,9r,11s,13r,14s,15r,16s,17r)-4,15-diacetoxy-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate
Molecular Mass 616.653 g·mol−1
Heat of Formation -2143.3 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 699.19 Å 3
Surface Area 490.38 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • javanicin d
CAS Number(s)
  • 126167-89-3
InChIKey AXKONZQQIZYBRP-UFYCQJCNSA-N
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