Methyl (1β,11β,12Alpha,15β)-15-(Hexanoyloxy)-1,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate

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Formula C27H36O11
IUPAC Name methyl (1beta,8xi,11beta,12alpha,15beta)-15-(hexanoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
Molecular Mass 536.568 g·mol−1
Heat of Formation -1933.1 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 604.77 Å 3
Surface Area 445.21 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey NZDAVMOPAYYVCK-KXCQIITPSA-N
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