(2S,3R,4S)-3-Hydroxy-4-[(2S,5R,7S,8R,9S)-9-Hydroxy-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyltetrahydro-2H-Pyran-2-Yl]-2,3'-Dimethyloctahydro-2,2'-Bifuran-5-Yl}-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Dec-7-Yl]-2-Methylpentanoic Acid

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Properties Simple | Detailed

Formula C34H58O11
IUPAC Name (2s,3r,4s)-4-[(2s,5r,7s,8r,9r)-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-3,5-di(methyl)-6-oxido-6-(oxidomethyl)-2,3-dihydropyran-5-id-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2,8-dimethyl-7-oxido-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-oxido-pentanoate
Molecular Mass 642.818 g·mol−1
Heat of Formation -2508.3 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 795.47 Å 3
Surface Area 522.66 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s)-3-hydroxy-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-methylol-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-valeric acid
  • (2s,3r,4s)-3-hydroxy-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-tetrahydropyranyl]-3-methyl-2-tetrahydrofuranyl]-5-methyl-2-tetrahydrofuranyl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylpentanoic acid
  • (2s,3r,4s)-3-hydroxy-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-pentanoic acid
  • (2s,3r,4s)-3-hydroxy-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methyl-pentanoic acid
  • (2s,3r,4s)-3-hydroxy-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2-methylpentanoic acid
  • 3-o-demethylmonensin b
CAS Number(s)
  • 109345-56-4
InChIKey WUMCYULFRTXIOQ-ITNVIPQQSA-N
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