2,4-Dihydroxy-3-({3-[(1S,5S,8S)-5-Methyl-9-Methylene-4-Oxotricyclo[6.2.2.0~1,6~]Dodec-2-En-5-Yl]Propanoyl}Amino)Benzoic Acid

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Properties Simple | Detailed

Formula C24H27NO6
IUPAC Name 2,4-dihydroxy-3-[3-[(1s,5s,6s,8s)-5-methyl-9-methylene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoic acid
Molecular Mass 425.474 g·mol−1
Heat of Formation -970.5 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 494.93 Å 3
Surface Area 409.38 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey DWUHGPPFFABTIY-UMYUEDFYSA-N
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