(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-13-Hydroxy-8,14,17-Trimethoxy-4,10,12,16-Tetramethyl-3,20,22-Trioxo-2-Azabicyclo[16.3.1]Docosa-1(21),4,6,10,18-Pentaen-9-Yl Carbamate

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Properties Simple | Detailed

Formula C29H40N2O9
IUPAC Name [(4e,6z,8s,9s,10e,12s,13r,14s,16s,17r)-13-hydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Molecular Mass 560.636 g·mol−1
Heat of Formation -1380.4 ± 16.7 kJ·mol−1
Dipole Moment 9.17 ± 1.08 D
Volume 694.13 Å 3
Surface Area 495.04 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5s,6r,7s,8e,10s,11s,12z,14e)-6-hydroxy-2,5,11-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
  • carbamic acid [(2r,3s,5s,6r,7s,8e,10s,11s,12z,14e)-6-hydroxy-16,20,22-triketo-2,5,11-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester
  • carbamic acid [(2r,3s,5s,6r,7s,8e,10s,11s,12z,14e)-6-hydroxy-2,5,11-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester
InChIKey DWFFHRSGCPBMKD-OOJAHTAHSA-N
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