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di-o-Benzoyl methyl 4,6-benzylidene-.alpha.-D-galactoside
SpectraBase Compound ID ETdJYRewj50
InChI InChI=1S/C28H26O8/c1-31-28-24(35-26(30)19-13-7-3-8-14-19)23(34-25(29)18-11-5-2-6-12-18)22-21(33-28)17-32-27(36-22)20-15-9-4-10-16-20/h2-16,21-24,27-28H,17H2,1H3/t21-,22+,23+,24-,27?,28+/m1/s1
InChIKey CGMUHSNJRXPSSA-LRSHIYBASA-N
Mol Weight 490.51 g/mol
Molecular Formula C28H26O8
Exact Mass 490.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoQOiLmdGzc
Name di-o-Benzoyl methyl 4,6-benzylidene-.alpha.-D-galactoside
Comments Computed using HOSE algorithm
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Exact Mass 490.162767789 u
Formula C28H26O8
InChI InChI=1S/C28H26O8/c1-31-28-24(35-26(30)19-13-7-3-8-14-19)23(34-25(29)18-11-5-2-6-12-18)22-21(33-28)17-32-27(36-22)20-15-9-4-10-16-20/h2-16,21-24,27-28H,17H2,1H3/t21-,22+,23+,24-,27?,28+/m1/s1
InChIKey CGMUHSNJRXPSSA-LRSHIYBASA-N
Molecular Weight 490.508 g/mol
SMILES [C@]1([C@@]2([C@](O[C@@]([C@@]1(OC(C1=CC=CC=C1)=O)[H])(OC)[H])(COC(O2)C1=CC=CC=C1)[H])[H])(OC(=O)C1=CC=CC=C1)[H]