(2R,3R,4S,5R,8R,9S,10S,11R,12R)-11-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-5-Ethyl-3,4-Dihydroxy-9-{[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}-2,4,8,10,12,14-Hexamethyl-6,15-Dioxabicyclo[10.2.1]Pentadec-1(14)-En-7-One

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Properties Simple | Detailed

Formula C29H49NO12
IUPAC Name (2r,3r,4r,8r,9s,10s,11r,12r)-11-[(2s,3r,4s)-4-amino-3-hydroxy-tetrahydropyran-2-yl]oxy-9-[(2s,4r,5s)-4,5-dihydroxytetrahydropyran-2-yl]oxy-3,4-dihydroxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Molecular Mass 603.699 g·mol−1
Heat of Formation -2505.7 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 881.76 Å 3
Surface Area 583.95 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,4s,5r,8r,9s,10r,11r)-2-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
  • (1r,2r,3s,4s,5r,8r,9s,10r,11r)-2-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
  • (1r,2r,3s,4s,5r,8r,9s,10r,11r)-2-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
  • (1r,2r,3s,4s,5r,8r,9s,10r,11r)-2-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-8-ethyl-9,10-dihydroxy-4-[[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
  • 8,9-didehydro-9-deoxo-6-deoxy-6,9-epoxyerythromycin
  • de-(n-methyl)-n-ethyl-8,9-anhydroerythromycin a 6,9-hemiacetal
  • em 523
  • em-201
  • em-523
  • em523l
  • erythromycin, 8,9-didehydro-9-deoxo-6-deoxy-6,9-epoxy-
  • n-ethyl-n-demethyl-8,9-anhydroerythromycin a 6,9-hemiketal
CAS Number(s)
  • 33396-29-1
InChIKey JFVYXJKGJMUGRG-KJPZRSJGSA-N
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