(7Ar,9R,11Br)-1-Acetoxy-9-[(R)-3-Furyl(β-L-Glucopyranosyloxy)Methyl]-5,5,7A,9,11B-Pentamethyl-3,7-Dioxododecahydro-5H-Spiro[Naphtho[2,1-C]Oxepine-8,2'-Oxirane]-3'-Carboxylic Acid

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Formula C34H46O15
IUPAC Name (1r,2'r,5ar,7ar,8r,9s,11ar,11br)-1-acetoxy-9-[(r)-3-furyl-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxo-spiro[2,5a,6,10,11,11a-hexahydro-1h-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylic acid
Molecular Mass 694.720 g·mol−1
Heat of Formation -2545.3 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 784.14 Å 3
Surface Area 534.51 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
InChIKey GIVMXHQLQAIYEX-MJGDYQFXSA-N
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