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

Molecule SVG Image

Properties Simple | Detailed

Formula C54H87NO13
IUPAC Name n-[(e,4r,5r,9s,10s,11s)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3r,5e,7e,11s,12s,13e,15r,17s,18s,19z,21s,23s,24r,25r)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodec-1-enyl]-n-methyl-formamide
Molecular Mass 958.267 g·mol−1
Heat of Formation -2354.6 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 1264.08 Å 3
Surface Area 835.31 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • n-((e)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-((5z,7z,13z,19z)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl)dodec-1-enyl)-n-methylformamide
  • n-[(e,4r,5r,9s,10s,11s)-11-[(1r,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18e,20e,23r)-17,27-diketo-3,5,9,11,23-pentamethoxy-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)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(1r,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18e,20e,23r)-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]dodec-1-enyl]-n-methyl-formamide
  • n-[(e,4r,5r,9s,10s,11s)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(1r,2r,3s,5s,6e,8s,9s,11r,12e,14s,15s,18e,20e,23r)-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]dodec-1-enyl]-n-methyl-methanamide
  • rga
InChIKey LOYDTENNTZZQJM-DIUYYEMASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N