(2S,3R,3A'S,4R,5'R)-8'-Hydroxy-4-[3-(Methoxycarbonyl)-3-Methyl-2-Oxopentyl]-3-Methyl-5'-Pentyl-3',3A',4,5,5',6'-Hexahydro-3H-Spiro[Furan-2,2'-Pyrano[2,3,4-De]Chromene]-9'-Carboxylic Acid

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Formula C29H40O9
IUPAC Name (3s,3'r,4'r,5s,7r)-11-hydroxy-4'-[(3r)-3-methoxycarbonyl-3-methyl-2-oxo-pentyl]-3'-methyl-7-pentyl-spiro[2,6-dioxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-3,2'-tetrahydrofuran]-12-carboxylic acid
Molecular Mass 532.622 g·mol−1
Heat of Formation -1779.9 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 640.5 Å 3
Surface Area 507.94 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey KUPCHRRTAPZASB-FZFXPSRPSA-N
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