[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-10-{[(2R,5S,6R)-5-(Dimethylamino)-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-4-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxooxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde

Molecule SVG Image

Properties Simple | Detailed

Formula C43H74N2O14
IUPAC Name 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2r,5s,6r)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Molecular Mass 843.053 g·mol−1
Heat of Formation -2739.7 ± 16.7 kJ·mol−1
Dipole Moment 10.22 ± 1.08 D
Volume 1039.2 Å 3
Surface Area 751.45 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyl-oxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-2-keto-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4r,5s,6r)-5-[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[[(2s,3r,4r,5s,6r)-5-[[(2s,4r,5s,6s)-4,5-dihydroxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-10-[[(2r,5s,6r)-5-dimethylamino-6-methyl-2-tetrahydropyranyl]oxy]-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
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InChIKey ACTOXUHEUCPTEW-CEUOBAOPSA-N
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