(8S,9S,12S,13R,14S,16R)-19-Amino-13-Hydroxy-8,14-Dimethoxy-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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Formula C28H39N3O8
IUPAC Name [(3r,5s,6r,7s,8e,10s,11s,12e,14z)-21-amino-6-hydroxy-5,11-dimethoxy-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
Molecular Mass 545.625 g·mol−1
Heat of Formation -1263.5 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 678.35 Å 3
Surface Area 493.77 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,5s,6r,7s,8e,10s,11s,12e,14z)-21-amino-6-hydroxy-5,11-dimethoxy-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
  • [(3r,5s,6r,7s,8e,10s,11s,12z,14e)-21-amino-6-hydroxy-5,11-dimethoxy-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 [(3r,5s,6r,7s,8e,10s,11s,12e,14z)-21-amino-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester
  • carbamic acid [(3r,5s,6r,7s,8e,10s,11s,12e,14z)-21-amino-6-hydroxy-5,11-dimethoxy-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
  • carbamic acid [(3r,5s,6r,7s,8e,10s,11s,12z,14e)-21-amino-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester
  • carbamic acid [(3r,5s,6r,7s,8e,10s,11s,12z,14e)-21-amino-6-hydroxy-5,11-dimethoxy-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 XYFFWTYOFPSZRM-GSYAFZLWSA-N
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