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o-(2,3,4,6-Tetra-o-benzyl-alpha-D-mannopyranosyl)-o-ethyl(pivaloyl)phosphonate
SpectraBase Compound ID 5sqXKK5HHFX
InChI InChI=1S/C41H49O9P/c1-5-48-51(43,40(42)41(2,3)4)50-39-38(47-29-34-24-16-9-17-25-34)37(46-28-33-22-14-8-15-23-33)36(45-27-32-20-12-7-13-21-32)35(49-39)30-44-26-31-18-10-6-11-19-31/h6-25,35-39H,5,26-30H2,1-4H3/t35-,36-,37+,38+,39-,51?/m1/s1
InChIKey PZNMTRVSUFPOOM-AFKLPUGHSA-N
Mol Weight 716.8 g/mol
Molecular Formula C41H49O9P
Exact Mass 716.31142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ODVDcrD2Ck
Name o-(2,3,4,6-Tetra-o-benzyl-alpha-D-mannopyranosyl)-o-ethyl(pivaloyl)phosphonate
Comments Computed using HOSE algorithm
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Exact Mass 716.311420147 u
Formula C41H49O9P
InChI InChI=1S/C41H49O9P/c1-5-48-51(43,40(42)41(2,3)4)50-39-38(47-29-34-24-16-9-17-25-34)37(46-28-33-22-14-8-15-23-33)36(45-27-32-20-12-7-13-21-32)35(49-39)30-44-26-31-18-10-6-11-19-31/h6-25,35-39H,5,26-30H2,1-4H3/t35-,36-,37+,38+,39-,51?/m1/s1
InChIKey PZNMTRVSUFPOOM-AFKLPUGHSA-N
Molecular Weight 716.808 g/mol
SMILES C(OP(=O)(C(=O)C(C)(C)C)O[C@@]1([C@]([C@]([C@@]([C@](O1)(COCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])C