N-{(1E,4R,5R,9S,10S,11S)-11-[(3R,5E,7Z,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25S,29S)-17,29-Dihydroxy-3,15,21,23-Tetramethoxy-5,12,18,24-Tetramethyl-9,27-Dioxo-10,26-Dioxabicyclo[23.3.1]Nonacosa-1(28),5,7,13,19-Pentaen-11-Yl]-4,10-Dimethoxy-5,9-Dimethyl-6-Oxo-1-Dodecen-1-Yl}-N-Methylformamide

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Properties Simple | Detailed

Formula C53H85NO14
IUPAC Name n-[(e,4r,5r,9s,10s,11s)-11-[(1s,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18z,20e,23r,29s)-9,29-dihydroxy-3,5,11,23-tetramethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxo-dodec-1-enyl]-n-methyl-formamide
Molecular Mass 960.240 g·mol−1
Heat of Formation -2586.3 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 1249.11 Å 3
Surface Area 797.94 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • n-((4r,5r,9s,10s,11s,e)-11-((3r,5z,7z,11s,12s,13z,15r,17s,18s,19z,21s,23s,24r,25s,29s)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl)-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl)-n-methylformamide
  • n-[(e,4r,5r,9s,10s,11s)-11-[(1s,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18z,20e,23r,29s)-9,29-dihydroxy-17,27-diketo-3,5,11,23-tetramethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-6-keto-4,10-dimethoxy-5,9-dimethyl-dodec-1-enyl]-n-methyl-formamide
  • n-[(e,4r,5r,9s,10s,11s)-11-[(1s,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18z,20e,23r,29s)-9,29-dihydroxy-3,5,11,23-tetramethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxo-dodec-1-enyl]-n-methyl-formamide
  • n-[(e,4r,5r,9s,10s,11s)-11-[(1s,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18z,20e,23r,29s)-9,29-dihydroxy-3,5,11,23-tetramethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxo-dodec-1-enyl]-n-methyl-methanamide
  • n-[(e,4r,5r,9s,10s,11s)-11-[(1s,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18z,20e,23r,29s)-9,29-dihydroxy-3,5,11,23-tetramethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-n-methylformamide
  • spx
InChIKey MINVLQAHLUCDIO-WUYLRMRFSA-N
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