(2S)-2-[(1R,4S,5S,6R,6Ar,9R,9Ae,10Ar)-4-{[3-O-Acetyl-6-O-(2-Methyl-3-Buten-2-Yl)-β-L-Glucopyranosyl]Oxy}-1,5-Dihydroxy-9-(Methoxymethyl)-6,10A-Dimethyl-1,2,4,5,6,6A,7,8,9,10A-Decahydrodicyclopenta[A,D][8]Annulen-3-Yl]Propyl Acetate

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Formula C36H56O12
IUPAC Name [(2s)-2-[(1e,3r,4r,8s,9s,10r,11r,14r)-8-[(2s,3s,4r,5s,6s)-4-acetoxy-6-(1,1-dimethylallyloxymethyl)-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate
Molecular Mass 680.823 g·mol−1
Heat of Formation -2304.7 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 842.25 Å 3
Surface Area 563.52 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 3.43 ± eV
Point Group Symmetry C1
InChIKey KXTYBXCEQOANSX-MQYZIMMHSA-N
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