[(1R,2R,10R,12S,13S)-12-Hydroxy-7,18-Dimethoxy-6,17,21-Trimethyl-5,8,16,19-Tetraoxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15(20),17-Tetraen-10-Yl]Methyl Acetate

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Formula C27H30N2O9
IUPAC Name [(1r,2r,10r,12s,13s)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl acetate
Molecular Mass 526.535 g·mol−1
Heat of Formation -1247.9 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 582.44 Å 3
Surface Area 433.45 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey QCUVHQFXYHRYHX-MFTQVVHASA-N
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