(2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-{(2S,2'R,2''S,3'S,3''S,5R,5'R,5''S)-2''-Hydroxy-5''-[(1R)-1-Hydroxypropyl]-2,3',3'',5''-Tetramethyldodecahydro-2,2':5',2''-Terfuran-5-Yl}-9-Methoxy-8,10-Dimethyl-1,6-Dioxaspiro[4.5]Dec-7-Yl]-3-Methoxy-2-Methylpentanoic Acid

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Properties Simple | Detailed

Formula C37H44O11
IUPAC Name (2s,3r,4s)-4-[(2s,5r,7s,8r,9r,10r)-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5s)-2-hydroxy-5-[(1r)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid
Molecular Mass 664.739 g·mol−1
Heat of Formation -2484.6 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 870.99 Å 3
Surface Area 551.47 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s)-4-[(2s,5r,7s,8r,9r,10r)-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5s)-2-hydroxy-5-[(1r)-1-hydroxypropyl]-3,5-dimethyl-2-tetrahydrofuranyl]-3-methyl-2-tetrahydrofuranyl]-5-methyl-2-tetrahydrofuranyl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid
  • (2s,3r,4s)-4-[(2s,5r,7s,8r,9r,10r)-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5s)-2-hydroxy-5-[(1r)-1-hydroxypropyl]-3,5-dimethyl-oxolan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-pentanoic acid
  • (2s,3r,4s)-4-[(2s,5r,7s,8r,9r,10r)-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5s)-2-hydroxy-5-[(1r)-1-hydroxypropyl]-3,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-pentanoic acid
  • (2s,3r,4s)-4-[(2s,5r,7s,8r,9r,10r)-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5s)-2-hydroxy-5-[(1r)-1-hydroxypropyl]-3,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-valeric acid
  • 1,6-dioxaspiro[4.5]decane, monensin deriv.
  • 4-[2-(5-{5-[5-((1r)-1-hydroxypropyl)(2s,3s,5s)-2-hydroxy-3,5-dimethyloxolan-2-yl](3s)-3-methyloxolan-2-yl}(5s)-5-methyloxolan-2-yl)(5r,8r,9r,10r)-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl](2s,4s,3r)-3-methoxy-2-methylpentanoic acid
  • kijimicin
  • monensin, 21,25-deepoxy-16-deethyl-25-de(hydroxymethyl)-12-demethyl-21,24-epoxy-25-ethyl-21-hydroxy-8,16-dimethyl-7-o-methyl-, (8r)-
CAS Number(s)
  • 129297-22-9
InChIKey DQQFPJYHEYSNAS-GDDNSUCPSA-N
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