(2R,3R,6R,7R,8S,9R,10R)-3-[(2R,3R)-2,3-Dihydroxy-2-Pentanyl]-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-7-{[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}-2,6,8,10,12-Pentamethyl-4,13-Dioxabicyclo[8.2.1]Tridec-1(12)-En-5-One

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Properties Simple | Detailed

Formula C37H65NO12
IUPAC Name (2r,3r,6r,7r,8s,9r,10r)-3-[(1r,2r)-1,2-dihydroxy-1-methyl-butyl]-9-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one
Molecular Mass 715.911 g·mol−1
Heat of Formation -2505.9 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 882.25 Å 3
Surface Area 558.0 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 4.41 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,4r,5r,8r,9r)-8-[(1r,2r)-1,2-dihydroxy-1-methyl-butyl]-2-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-1,3,5,9,11-pentamethyl-7,13-dioxabicyclo[8.2.1]tridec-10-en-6-one
  • (1r,2r,3s,4r,5r,8r,9r)-8-[(1r,2r)-1,2-dihydroxy-1-methylbutyl]-2-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-[[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-1,3,5,9,11-pentamethyl-7,13-dioxabicyclo[8.2.1]tridec-10-en-6-one
  • (1r,2r,3s,4r,5r,8r,9r)-8-[(2r,3r)-2,3-dihydroxypentan-2-yl]-2-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-1,3,5,9,11-pentamethyl-7,13-dioxabicyclo[8.2.1]tridec-10-en-6-one
  • (1r,2r,3s,4r,5r,8r,9r)-8-[(2r,3r)-2,3-dihydroxypentan-2-yl]-2-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11-pentamethyl-7,13-dioxabicyclo[8.2.1]tridec-10-en-6-one
  • ly-267108
InChIKey NMIWBQUQCOMGHJ-GWJNWRIESA-N
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