Eupalinilide E

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Properties Simple | Detailed

Formula C20H25ClO6
IUPAC Name [(3ar,4r,6r,6as,7r,9ar,9br)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3ah-azuleno[4,5-b]furan-4-yl] (e)-2-methylbut-2-enoate
Molecular Mass 396.862 g·mol−1
Heat of Formation -1060.2 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 454.51 Å 3
Surface Area 360.76 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey RQLHOJWFBMNYHW-PBDZIAQESA-N
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Elements H C O Cl