{(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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Formula C30H36O12
IUPAC Name {(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
Molecular Mass 588.600 g·mol−1
Heat of Formation -1286.5 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 660.2 Å 3
Surface Area 501.18 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey KHRHASRIMPQOPU-PQBZLUTBSA-N
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