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.beta.-D-glucopyranose pentaacetate-D15
SpectraBase Compound ID 37e1ahVwgYa
InChI InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1/i1D3,2D3,3D3,4D3,5D3
InChIKey LPTITAGPBXDDGR-CZYQSFSWSA-N
Mol Weight 405.43 g/mol
Molecular Formula C16H72D15O11
Exact Mass 405.210363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3IqDhuj9Wa
Name .beta.-D-glucopyranose pentaacetate-D15
CAS Registry Number 55822-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7D15O11
InChI InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1/i1D3,2D3,3D3,4D3,5D3
InChIKey LPTITAGPBXDDGR-CZYQSFSWSA-N
Molecular Weight 405.433 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C([2D])([2D])[2D])([C@](O[C@]1(OC(=O)C([2D])([2D])[2D])[H])(COC(=O)C([2D])([2D])[2D])[H])[H])(OC(=O)C([2D])([2D])[2D])[H])(OC(=O)C([2D])([2D])[2D])[H]
SPLASH splash10-02ta-5910000000-d0736cd335b1bcc43fd5
Source of Spectrum C-85-1765-4
Wiley ID 1364548