(2Z)-2-[(1R)-3-{[(3R,4S,5R,8S,9S,12R)-12-{(2S,3S,6R,8S,9R)-3,9-Dimethyl-8-[(3S)-3-Methyl-4-Oxopentyl]-1,7-Dioxaspiro[5.5]Undec-2-Yl}-5,9-Dihydroxy-4-Methoxy-2,8-Dimethyl-7-Oxotridecan-3-Yl]Oxy}-1-Hydroxy-3-Oxopropyl]-3-Methylbut-2-Enedioic Acid

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Formula C41H68O14
IUPAC Name (z)-2-[(1r)-3-[(1r,2s,3r,6s,7s,10r)-10-[(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxo-pentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-3,7-dihydroxy-1-isopropyl-2-methoxy-6-methyl-5-oxo-undecoxy]-1-hydroxy-3-oxo-propyl]-3-methyl-but-2-enedioic acid
Molecular Mass 784.970 g·mol−1
Heat of Formation -3017.7 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 1006.59 Å 3
Surface Area 774.32 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey FLYBGKSOQRCWMB-SPVJCFRKSA-N
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