2,4-Dihydroxy-3-({3-[(5S,11R)-11-Hydroxy-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 C24H27NO7
IUPAC Name 2,4-dihydroxy-3-({3-[(5s,11r)-11-hydroxy-5-methyl-9-methylene-4-oxotricyclo[6.2.2.0 1,6 ]dodec-2-en-5-yl]propanoyl}amino)benzoic acid
Molecular Mass 441.474 g·mol−1
Heat of Formation -1155.1 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 505.85 Å 3
Surface Area 416.25 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey KCPPASJQWABQQM-HHCLXMFYSA-N
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