(1R)-4-O-Acetyl-1,5-Anhydro-3-O-[(2E,4E,6E,8E)-9-Carboxy-2,4,6,8-Nonatetraenoyl]-2,6-Dideoxy-1-[(1S,2R,7R,9S,10S,11S)-2,7,9,11,13-Pentahydroxy-5-Methyl-3,18-Dioxo-19-Oxapentacyclo[8.8.1.0~1,10~.0~2,7~.0~12,17~]Nonadeca-4,12,14,16-Tetraen-14-Yl]-D-Arabino-Hexitol

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Formula C37H38O15
IUPAC Name (1r)-4-o-acetyl-1,5-anhydro-3-o-[(2e,4e,6e,8e)-9-carboxy-2,4,6,8-nonatetraenoyl]-2,6-dideoxy-1-[(1s,2r,7r,9s,10s,11s)-2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.0 1,10 .0 2,7 .0 12,17 ]nonadeca-4,12,14,16-tetraen-14-yl]-d-arabino-hexitol
Molecular Mass 722.689 g·mol−1
Heat of Formation -2235.5 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 808.18 Å 3
Surface Area 670.58 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
InChIKey FTHVOUWMLYLIFE-WSOZGFGQSA-N
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