(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 (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
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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