(4E,8S,9R,10E,12S,13R,14S,16R)-13,20-Dihydroxy-14-Methoxy-4,8,10,12,16-Pentamethyl-3-Oxo-2-Azabicyclo[16.3.1]Docosa-1(22),4,10,18,20-Pentaen-9-Yl Carbamate

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Formula C28H42N2O6
IUPAC Name [(3r,5s,6r,7s,8e,10r,11s,14e)-6,20-dihydroxy-5-methoxy-3,7,9,11,15-pentamethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,14,18,20-pentaen-10-yl] carbamate
Molecular Mass 502.643 g·mol−1
Heat of Formation -1197.7 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 668.64 Å 3
Surface Area 450.54 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,5s,6r,7s,8e,10r,11s,14e)-6,20-dihydroxy-5-methoxy-3,7,9,11,15-pentamethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,14,18,20-pentaen-10-yl] carbamate
  • carbamic acid [(3r,5s,6r,7s,8e,10r,11s,14e)-6,20-dihydroxy-16-keto-5-methoxy-3,7,9,11,15-pentamethyl-17-azabicyclo[16.3.1]docosa-1(22),8,14,18,20-pentaen-10-yl] ester
  • carbamic acid [(3r,5s,6r,7s,8e,10r,11s,14e)-6,20-dihydroxy-5-methoxy-3,7,9,11,15-pentamethyl-16-oxo-17-azabicyclo[16.3.1]docosa-1(22),8,14,18,20-pentaen-10-yl] ester
InChIKey RMHMHRXSAMJROO-HZZPTFRUSA-N
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