Cethromycin

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Formula C42H59N3O10
IUPAC Name (1r,2r,4r,6r,7r,8r,10r,13r,14s)-7-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(e)-3-(3-quinolyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
Molecular Mass 765.932 g·mol−1
Heat of Formation -1786.0 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 931.31 Å 3
Surface Area 630.04 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,5r,7r,8r,9r,11r,13r,14r)-8-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(e)-3-quinolin-3-ylprop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
  • (1s,2r,5r,7r,8r,9r,11r,13r,14r)-8-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(e)-3-(3-quinolyl)prop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-diquinone
  • (1s,2r,5r,7r,8r,9r,11r,13r,14r)-8-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(e)-3-(3-quinolyl)prop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
  • (1s,2r,5r,7r,8r,9r,11r,13r,14r)-8-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(e)-3-(3-quinolyl)prop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
  • (3as,4r,7r,9r,10r,11r,13r,15r,15ar)-4-ethyl-3a,7,9,11,13,15 hexamethyl-11-((3-(quinolin-3-yl)prop-2-enyl)oxy)-10-((3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl)oxy)octahydro-2h-oxacyclotetradecino(4,3-d)oxazole-2,6,8,14(1h,7h,9h)-tetrone
  • 2h-oxacyclotetradecino(4,3-d)oxazole-2,6,8,14(1h,7h,9h)-tetrone, 4-ethyloctahydro-3a,7,9,11,13,15-hexamethyl-11-((3-(3-quinolinyl)-2-propenyl)oxy)-10-((3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl)oxy)-, (3as,4r,7r,9r,10r,11r,13r,15r,15ar)-
  • a-195773.0
  • abt-773
InChIKey PENDGIOBPJLVBT-ONLVEXIXSA-N
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