7-O-Methylkoninginin D

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Properties Simple | Detailed

Formula C17H28O5
IUPAC Name (2s,4r,8r)-8-hydroxy-2-[(1s)-1-hydroxyheptyl]-4-methoxy-2,3,4,6,7,8-hexahydrochromen-5-one
Molecular Mass 312.401 g·mol−1
Heat of Formation -1022.1 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 397.16 Å 3
Surface Area 351.1 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey KZJHCFVWRNCUKY-PMOUVXMZSA-N
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Elements H C O