Methyl (1S,2S,5S,7R)-2-{(3R,3Ar,4R,7R,7Ar)-4-[(R)-Acetoxy(3-Furyl)Methyl]-7A-Formyl-4-Methyl-2-Oxo-3-Propionyloctahydro-1-Benzofuran-7-Yl}-2,8,8-Trimethyl-3-Oxo-6-Oxabicyclo[3.2.1]Octane-7-Carboxylate

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Formula C32H40O11
IUPAC Name methyl (1s,4s,5s,6r)-4-[(3r,3ar,4r,7r,7ar)-4-[(r)-acetoxy(3-furyl)methyl]-7a-formyl-4-methyl-2-oxo-3-propanoyl-3a,5,6,7-tetrahydro-3h-benzofuran-7-yl]-4,8,8-trimethyl-3-oxo-7-oxabicyclo[3.2.1]octane-6-carboxylate
Molecular Mass 600.653 g·mol−1
Heat of Formation -1840.2 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 695.21 Å 3
Surface Area 482.76 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey UZGWMMOVPDKSHU-CVQXYGNNSA-N
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