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(2S)-2-[(3aS,4S,6S,6aS)-2,2-dimethyl-4-oxidanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-ethanoic acid

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(2S)-2-[(3aS,4S,6S,6aS)-2,2-dimethyl-4-oxidanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methoxy-ethanoic acid
SpectraBase Compound ID 3x1AZO6PYDS
InChI InChI=1S/C10H16O7/c1-10(2)16-5-4(6(14-3)8(11)12)15-9(13)7(5)17-10/h4-7,9,13H,1-3H3,(H,11,12)/t4-,5-,6-,7-,9-/m0/s1
InChIKey HISSQEBJVUZRIW-OUHXRIGLSA-N
Mol Weight 248.23 g/mol
Molecular Formula C10H16O7
Exact Mass 248.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lH1arf3FbB
Name (2S)-2-[(3as,4S,6S,6as)-2,2-Dimethyl-4-oxidanyl-3A,4,6,6A-tetrahydrofuro[3,4-D][1,3]dioxol-6-yl]-2-methoxy-ethanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.089602848 u
Formula C10H16O7
InChI InChI=1S/C10H16O7/c1-10(2)16-5-4(6(14-3)8(11)12)15-9(13)7(5)17-10/h4-7,9,13H,1-3H3,(H,11,12)/t4-,5-,6-,7-,9-/m0/s1
InChIKey HISSQEBJVUZRIW-OUHXRIGLSA-N
Molecular Weight 248.231 g/mol
SMILES [C@]12([C@](O[C@@]([C@]2(OC(O1)(C)C)[H])(O)[H])([C@@](C(=O)O)(OC)[H])[H])[H]