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Methyl-6-deoxy-6-iodo-2,3,4-tri-O-pivaloyl-a-d-glucopyranoside

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Methyl-6-deoxy-6-iodo-2,3,4-tri-O-pivaloyl-a-d-glucopyranoside
SpectraBase Compound ID CtrCejZXhlr
InChI InChI=1S/C22H37IO8/c1-20(2,3)17(24)29-13-12(11-23)28-16(27-10)15(31-19(26)22(7,8)9)14(13)30-18(25)21(4,5)6/h12-16H,11H2,1-10H3/t12-,13+,14-,15-,16-/m0/s1
InChIKey KSJAPONYCIQCKP-QRJUGERDSA-N
Mol Weight 556.4 g/mol
Molecular Formula C22H37IO8
Exact Mass 556.153313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91QRUUhwpz7
Name Methyl-6-deoxy-6-iodo-2,3,4-tri-o-pivaloyl-A-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.153313143 u
Formula C22H37IO8
InChI InChI=1S/C22H37IO8/c1-20(2,3)17(24)29-13-12(11-23)28-16(27-10)15(31-19(26)22(7,8)9)14(13)30-18(25)21(4,5)6/h12-16H,11H2,1-10H3/t12-,13+,14-,15-,16-/m0/s1
InChIKey KSJAPONYCIQCKP-QRJUGERDSA-N
Molecular Weight 556.434 g/mol
SMILES [C@@]1([C@@](O[C@@]([C@]([C@]1(OC(=O)C(C)(C)C)[H])(OC(C(C)(C)C)=O)[H])(OC)[H])(CI)[H])(OC(C(C)(C)C)=O)[H]