{(1S,3S,6S,8S,9S)-1-[(6-O-Benzoyl-β-D-Glucopyranosyl)Oxy]-8-Methoxy-6-Methyl-7-Oxatricyclo[4.3.0.0~3,9~]Non-9-Yl}Methyl Benzoate

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Properties Simple | Detailed

Formula C31H36O11
IUPAC Name formaldehyde; 3-(2-hydroxyethynyl)-3h-isobenzofuran-1-one; 2-[3-[2-(oxomethylene)cyclopropyl]prop-1-ynyl]indane-1,3-dione
Molecular Mass 584.611 g·mol−1
Heat of Formation 2239.7 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 629.09 Å 3
Surface Area 426.84 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -2.86 ± eV
Point Group Symmetry C1
InChIKey ZKFBCYMWVIIMGH-SGDXEAHRSA-N
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Elements C O