(3E,5E,8R,9S,10R,11R,14S,15E,18R,20R,21E,24S)-24-{(2S,3S,4S,7R,8S,9R,10R,11E)-9-Acetoxy-7-[(N,N-Dimethyl-L-Alanyl)Oxy]-12-[Formyl(Methyl)Amino]-3-Hydroxy-4,8,10-Trimethyl-11-Dodecen-2-Yl}-10-Hydroxy-14,20-Dimethoxy-9,11,15,18-Tetramethyl-2-Oxooxacyclotetracosa-3,5,15,21-Tetraen-8-Yl N,N,O-Trimethyl-L-Serinate

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Properties Simple | Detailed

Formula C59H101N3O14
IUPAC Name [(3e,5e,8r,9s,10r,11r,14s,15e,18r,20r,21e,24s)-24-[(e,1s,2s,3s,6r,7s,8r,9r)-8-acetoxy-6-[(2s)-2-(dimethylamino)propanoyl]oxy-11-[formyl(methyl)amino]-2-hydroxy-1,3,7,9-tetramethyl-undec-10-enyl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] (2s)-2-(dimethylamino)-3-methoxy-propanoate
Molecular Mass 1076.445 g·mol−1
Heat of Formation -2850.7 ± 16.7 kJ·mol−1
Dipole Moment 11.40 ± 1.08 D
Volume 1436.98 Å 3
Surface Area 987.4 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-dimethylamino-3-methoxy-propionic acid [(3e,5e,8r,9s,10r,11r,14s,15e,18r,20r,21e,24s)-24-[(e,1s,2s,3s,6r,7s,8r,9r)-8-acetoxy-6-[(2s)-2-dimethylaminopropanoyl]oxy-11-(formyl-methyl-amino)-2-hydroxy-1,3,7,9-tetramethyl-undec-10-enyl]-10-hydroxy-2-keto-14,20-dimethoxy-9,11,15,18-tetramethyl-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] ester
  • (2s)-2-dimethylamino-3-methoxypropanoic acid [(3e,5e,8r,9s,10r,11r,14s,15e,18r,20r,21e,24s)-24-[(e,1s,2s,3s,6r,7s,8r,9r)-8-acetoxy-6-[(2s)-2-dimethylamino-1-oxopropoxy]-11-(formyl-methylamino)-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] ester
  • (8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(methyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclotetracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate
  • [(3e,5e,8r,9s,10r,11r,14s,15e,18r,20r,21e,24s)-24-[(e,1s,2s,3s,6r,7s,8r,9r)-8-acetoxy-6-[(2s)-2-dimethylaminopropanoyl]oxy-11-(formyl-methyl-amino)-2-hydroxy-1,3,7,9-tetramethyl-undec-10-enyl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] (2s)-2-dimethylamino-3-methoxy-propanoate
  • [(3e,5e,8r,9s,10r,11r,14s,15e,18r,20r,21e,24s)-24-[(e,2s,3s,4s,7r,8s,9r,10r)-9-acetyloxy-7-[(2s)-2-dimethylaminopropanoyl]oxy-12-(formyl-methylamino)-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] (2s)-2-dimethylamino-3-methoxypropanoate
  • [(3e,5e,8r,9s,10r,11r,14s,15e,18r,20r,21e,24s)-24-[(e,2s,3s,4s,7r,8s,9r,10r)-9-acetyloxy-7-[(2s)-2-dimethylaminopropanoyl]oxy-3-hydroxy-12-(methanoyl-methyl-amino)-4,8,10-trimethyl-dodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] (2s)-2-dimethylamino-3-methoxy-propanoate
  • aplyronine a
InChIKey JMXMEKJLQWJRHY-GDEZZODWSA-N
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