Fredericamycin E

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Properties Simple | Detailed

Formula C31H23NO10
IUPAC Name (8r)-5',8',9,9',10'-pentahydroxy-6'-methoxy-3-[(1e,3e)-penta-1,3-dienyl]spiro[6,7-dihydro-2h-cyclopenta[g]isoquinoline-8,3'-anthracene]-1,1',2',4'-tetrone
Molecular Mass 569.515 g·mol−1
Heat of Formation -1358.2 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 594.99 Å 3
Surface Area 504.95 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey CBYHZVAGTILQJR-GSIWLMKGSA-N
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