[(1R,2S,10R,12R,13R,14S)-12-Cyano-14,16,19-Trihydroxy-7,18-Dimethoxy-6,17,21-Trimethyl-5,8-Dioxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15,17,19-Pentaen-10-Yl]Methyl (2Z)-2-Methyl-2-Butenoate

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Formula C31H35N3O9
IUPAC Name [(1r,2s,10r,12r,13r,14s)-12-cyano-14,16,19-trihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl (2z)-2-methyl-2-butenoate
Molecular Mass 593.624 g·mol−1
Heat of Formation -1156.4 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 679.3 Å 3
Surface Area 462.21 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry C1
InChIKey CYRXLYVOHCLIMN-TVNZNNQYSA-N
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