(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-[(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
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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