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2-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile, tetraacetate

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2-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile, tetraacetate
SpectraBase Compound ID 6EeMx9o7nnK
InChI InChI=1S/C19H27NO10/c1-9(7-20)10(2)26-19-18(29-14(6)24)17(28-13(5)23)16(27-12(4)22)15(30-19)8-25-11(3)21/h9-10,15-19H,8H2,1-6H3/t9?,10?,15-,16-,17+,18-,19-/m1/s1
InChIKey SBCAVDCEXBYNIQ-XZEGUXNVSA-N
Mol Weight 429.42 g/mol
Molecular Formula C19H27NO10
Exact Mass 429.163496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LT3ZmPD8c1o
Name 2-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile, tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.163496063 u
Formula C19H27NO10
InChI InChI=1S/C19H27NO10/c1-9(7-20)10(2)26-19-18(29-14(6)24)17(28-13(5)23)16(27-12(4)22)15(30-19)8-25-11(3)21/h9-10,15-19H,8H2,1-6H3/t9?,10?,15-,16-,17+,18-,19-/m1/s1
InChIKey SBCAVDCEXBYNIQ-XZEGUXNVSA-N
Molecular Weight 429.422 g/mol
SMILES C(C)(C(C)C#N)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H]