{(3S,5R,6S)-1-({[(4,5-Dihydroxy-2-Cyclohexen-1-Yl)Carbonyl]Oxy}Methyl)-3-[(1Ar)-1H-3,4-Dioxacyclobuta[Cd]Pentalen-1A(2H)-Yloxy]-5,6-Dihydroxy-4-Methyl-2-Oxabicyclo[2.2.1]Hept-3-Yl}Methyl Benzoate

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Properties Simple | Detailed

Formula C30H26O12
IUPAC Name cyclohexa-2,4-dien-1-ylidenemethanone; formaldehyde; [(1s)-4-methylene-1-[(3-methylfuro[2,3-b]furan-4-yl)oxymethoxy]-2,3-dioxo-cyclopentyl]methyl 5-hydroxy-2-(2-hydroxyethynyl)pent-4-ynoate
Molecular Mass 578.520 g·mol−1
Heat of Formation 2718.8 ± 16.7 kJ·mol−1
Dipole Moment 13.63 ± 1.08 D
Volume 538.79 Å 3
Surface Area 424.62 Å 2
HOMO Energy -6.44 ± 0.55 eV
LUMO Energy -4.49 ± eV
Point Group Symmetry C1
InChIKey KHRHASRIMPQOPU-BWJJKZRCSA-N
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