(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-Ethyl-11-({(2S,3R,4S,6R)-4-[Ethyl(Methyl)Amino]-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl}Oxy)-3-Hydroxy-9-{[(2S,4S,6S)-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 C31H53NO10
IUPAC Name (2r,3s,4r,5r,8r,9s,10s,11r,12r)-11-[(2s,3r,4s)-4-amino-3-hydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-9-[(2s,4s)-4-hydroxy-4-methyl-tetrahydropyran-2-yl]oxy-2,4,5,8,10,12,14-heptamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Molecular Mass 599.753 g·mol−1
Heat of Formation -2169.2 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 864.53 Å 3
Surface Area 545.98 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,4s,5r,8r,9r,10s,11r)-8-ethyl-2-[(2s,3r,4s,6r)-4-(ethyl-methyl-amino)-3-hydroxy-6-methyl-oxan-2-yl]oxy-10-hydroxy-4-[(2s,4s,6s)-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,9r,10s,11r)-8-ethyl-2-[(2s,3r,4s,6r)-4-(ethyl-methyl-amino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-hydroxy-4-[(2s,4s,6s)-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,9r,10s,11r)-8-ethyl-2-[(2s,3r,4s,6r)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-4-[(2s,4s,6s)-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,9r,10s,11r)-8-ethyl-2-[[(2s,3r,4s,6r)-4-(ethyl-methylamino)-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-10-hydroxy-4-[[(2s,4s,6s)-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
  • alemcinal (usan)
  • d02801
InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-N
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