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Methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-carboxylate, 5me derivative

View entire compound with spectra: 1 NMR

Methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-carboxylate, 5me derivative
SpectraBase Compound ID GIb0aVxuRqZ
InChI InChI=1S/C22H36O10/c1-22(29-7)9-8-12-13(19(23)28-6)10-30-20(15(12)22)32-21-18(27-5)17(26-4)16(25-3)14(31-21)11-24-2/h10,12,14-18,20-21H,8-9,11H2,1-7H3/t12?,14-,15?,16-,17+,18-,20+,21+,22?/m1/s1
InChIKey QAYUSSMEOVPYIL-ZSWCICFYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C22H36O10
Exact Mass 460.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7DwXWyDqNi
Name Methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-carboxylate, 5me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.230847349 u
Formula C22H36O10
InChI InChI=1S/C22H36O10/c1-22(29-7)9-8-12-13(19(23)28-6)10-30-20(15(12)22)32-21-18(27-5)17(26-4)16(25-3)14(31-21)11-24-2/h10,12,14-18,20-21H,8-9,11H2,1-7H3/t12?,14-,15?,16-,17+,18-,20+,21+,22?/m1/s1
InChIKey QAYUSSMEOVPYIL-ZSWCICFYSA-N
Molecular Weight 460.520 g/mol
SMILES [C@]1(C2C(C(=CO1)C(=O)OC)CCC2(C)OC)(O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])[H]