(4S,5R)-5-[(1As,3As,7R,7Ar,10R,10As)-7-Acetoxy-10-Hydroxy-1A-Methyl-8-Methylene-1A,2,3,3A,7,7A,8,9,10,10A-Decahydrooxireno[5,6]Cyclonona[1,2-C]Pyran-4-Yl]-2-Methyl-2-Pentene-4,5-Diyl Diacetate

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Properties Simple | Detailed

Formula C26H36O9
IUPAC Name [(1s,4s,6s,7r,10r,11r)-14-[(1r,2s)-1,2-diacetoxy-4-methyl-pent-3-enyl]-7-hydroxy-4-methyl-9-methylene-5,12-dioxatricyclo[8.4.0.04,6]tetradec-13-en-11-yl] acetate
Molecular Mass 492.559 g·mol−1
Heat of Formation -1594.4 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 599.83 Å 3
Surface Area 432.06 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 3.48 ± eV
Point Group Symmetry C1
InChIKey HVSHDPHIYMYJMM-BLQWUNODSA-N
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