Methyl (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-{(2S,2'S,3'R,5R,5'S)-2-Ethyl-5'-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyltetrahydro-2H-Pyran-2-Yl]-3'-Methyloctahydro-2,2'-Bifuran-5-Yl}-9-Hydroxy-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Dec-7-Yl]-3-Methoxy-2-Methylpentanoate

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Properties Simple | Detailed

Formula C37H64O11
IUPAC Name methyl (2r,3s,4r)-4-[(2r,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2s,3r,5s)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate
Molecular Mass 684.897 g·mol−1
Heat of Formation -2478.4 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 853.34 Å 3
Surface Area 557.94 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r)-4-[(2r,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2s,3r,5s)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-methylol-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-valeric acid methyl ester
  • (2r,3s,4r)-4-[(2r,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2s,3r,5s)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-tetrahydropyranyl]-3-methyl-2-tetrahydrofuranyl]-2-tetrahydrofuranyl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid methyl ester
  • 1,6-dioxaspiro(4.5)decane-7-butyric acid, 2-(5-ethyltetrahydro-5-(tetrahydro-3-methyl-5-(tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2h-pyran-2-yl)-2-furyl)-2-furyl)-9-hydroxy-beta-methoxy-alpha,gamma,2,8-tetramethyl-, methyl ester
  • methyl (2r,3s,4r)-4-[(2r,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2s,3r,5s)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-pentanoate
  • methyl (2r,3s,4r)-4-[(2r,5r,7s,8r,9s)-2-[(2r,5s)-5-ethyl-5-[(2s,3r,5s)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-pentanoate
  • monensin methyl ester
  • monensin, methyl ester
CAS Number(s)
  • 28636-21-7
InChIKey PFRZSHIENRKVSE-RJTHVKINSA-N
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