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

Molecule SVG Image

Properties Simple | Detailed

Formula C36H63NO12
IUPAC Name (2r,3r,4s,5r,8r,9s,10s,11r,12r)-5-ethyl-3,4-dihydroxy-9-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2s,3r,4s,6r)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Molecular Mass 701.885 g·mol−1
Heat of Formation -2539.0 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 858.19 Å 3
Surface Area 557.75 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 4.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,4s,5r,8r,9s,10r,11r)-8-ethyl-9,10-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2-[(2s,3r,4s,6r)-3-hydroxy-6-methyl-4-methylamino-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)-8-ethyl-9,10-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2-[(2s,3r,4s,6r)-3-hydroxy-6-methyl-4-methylamino-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)-8-ethyl-9,10-dihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-[(2s,3r,4s,6r)-3-hydroxy-6-methyl-4-methylaminooxan-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)-8-ethyl-9,10-dihydroxy-4-[[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-2-[[(2s,3r,4s,6r)-3-hydroxy-6-methyl-4-methylamino-2-tetrahydropyranyl]oxy]-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
  • 8,9-didehydro-n-demethyl-9-deoxo-6-deoxy-6,9-epoxyerythromycin
  • de-(n-methyl)-8,9-anhydroerythromycin a 6,9-hemicetal
  • erythromycin, 8,9-didehydro-n-demethyl-9-deoxo-6-deoxy-6,9-epoxy-
  • me 34
  • me-34
CAS Number(s)
  • 98641-05-5
InChIKey MJNFBHNVYNPCKI-UCUMWJIBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N