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3-C-[2-(Hydroxymethyl)phenylmethyl]-1,2:5,6-di-o-isopropylidenr-.alpha.,D-allofuranose

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3-C-[2-(Hydroxymethyl)phenylmethyl]-1,2:5,6-di-o-isopropylidenr-.alpha.,D-allofuranose
SpectraBase Compound ID A1lFTXMRaqn
InChI InChI=1S/C20H28O7/c1-18(2)23-11-14(25-18)15-20(22,10-13(21)12-8-6-5-7-9-12)16-17(24-15)27-19(3,4)26-16/h5-9,13-17,21-22H,10-11H2,1-4H3/t13?,14-,15+,16?,17+,20?/m0/s1
InChIKey OKBHTISNTOPVEB-BEDMTGGISA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kkPRB1DmCM
Name 3-C-[2-(Hydroxymethyl)phenylmethyl]-1,2:5,6-di-o-isopropylidenr-.alpha.,D-allofuranose
Comments Computed using HOSE algorithm
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Exact Mass 380.183503235 u
Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-18(2)23-11-14(25-18)15-20(22,10-13(21)12-8-6-5-7-9-12)16-17(24-15)27-19(3,4)26-16/h5-9,13-17,21-22H,10-11H2,1-4H3/t13?,14-,15+,16?,17+,20?/m0/s1
InChIKey OKBHTISNTOPVEB-BEDMTGGISA-N
Molecular Weight 380.437 g/mol
SMILES [C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@]1(OC(C)(C)OC1)[H])[H])[H])[H])(CC(C1=CC=CC=C1)O)O