(3α,12Beta,24Z)-12-(Beta-D-Glucopyranosyloxy)-3-Hydroxy-7-Oxolanosta-8,24-Dien-26-Oic Acid

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Properties Simple | Detailed

Formula C26H16O10
IUPAC Name carbon dioxide; 8-ethynyl-1,5,6-trimethylene-4-(oxomethylene)-2-prop-1-ynyl-9,10-didehydro-8h-benzo[9]annulene-3,7,11-trione; molecular oxygen; prop-1-yne
Molecular Mass 488.399 g·mol−1
Heat of Formation -2048.9 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 801.61 Å 3
Surface Area 579.83 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
InChIKey UBNBJPWHWRDJHQ-JOAPMODRSA-N
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