2,4-Dihydroxy-3-{[3-(13-Hydroxy-3,10-Dimethyl-4-Oxo-11-Oxapentacyclo[7.2.1.1~7,10~.0~1,9~.0~2,7~]Tridec-5-En-3-Yl)Propanoyl]Amino}Benzoic Acid

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Formula C24H25NO8
IUPAC Name 2,4-dihydroxy-3-{[3-(13-hydroxy-3,10-dimethyl-4-oxo-11-oxapentacyclo[7.2.1.1 7,10 .0 1,9 .0 2,7 ]tridec-5-en-3-yl)propanoyl]amino}benzoic acid
Molecular Mass 455.457 g·mol−1
Heat of Formation -961.0 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 503.8 Å 3
Surface Area 410.75 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey TUHIUIGYYSZKCN-ACYPNERUSA-N
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