(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-14-Ethyl-12,13-Dihydroxy-7-Methoxy-3,5,7,9,11,13-Hexamethyloxacyclotetradecane-2,4,10-Trione

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Formula C30H53NO10
IUPAC Name (2r,3s,4r,5r,7r,9r,10r,11r,13r)-10-[(2s,3r,4s,6r)-4-[di(methyl)amino]-6-methyl-3-oxido-tetrahydropyran-2-yl]oxy-2-ethyl-9-methoxy-3,5,7,9,11,13-hexamethyl-6,12,14-trioxo-oxacyclotetradecane-3,4-diolate
Molecular Mass 587.743 g·mol−1
Heat of Formation -2070.0 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 742.0 Å 3
Surface Area 503.22 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 3.40 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,6r,7r,9r,11r,12r,13s,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,4,10-trione
  • (3r,5r,6r,7r,9r,11r,12r,13s,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,4,10-trione
  • (3r,5r,6r,7r,9r,11r,12r,13s,14r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,4,10-trione
  • (3r,5r,6r,7r,9r,11r,12r,13s,14r)-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,4,10-trione
  • 6-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione
  • ru56006
InChIKey NTICZHDOVJTHBD-BJAXOJCGSA-N
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