Tirandamycin A

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Formula C22H27NO7
IUPAC Name (3z)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1s,2s,4r,6s,7r,8r)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.0 2,4 ]dec-8-yl]-2,4-heptadien-1-ylidene}-2,4-pyrrolidinedione
Molecular Mass 417.452 g·mol−1
Heat of Formation -1038.9 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 488.51 Å 3
Surface Area 400.58 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey URGUBECARCAPRI-HHPHRQTRSA-N
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