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Homovanillyl alcohol 4-o-.beta.-D-glucopyranoside, pentamethyl ether
SpectraBase Compound ID K7jmdY5V7bN
InChI InChI=1S/C20H32O8/c1-21-10-9-13-7-8-14(15(11-13)23-3)27-20-19(26-6)18(25-5)17(24-4)16(28-20)12-22-2/h7-8,11,16-20H,9-10,12H2,1-6H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey FTAALMFEPHSSRF-OUUBHVDSSA-N
Mol Weight 400.5 g/mol
Molecular Formula C20H32O8
Exact Mass 400.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14K4oQrFqfe
Name Homovanillyl alcohol 4-o-.beta.-D-glucopyranoside, pentamethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 400.209717982 u
Formula C20H32O8
InChI InChI=1S/C20H32O8/c1-21-10-9-13-7-8-14(15(11-13)23-3)27-20-19(26-6)18(25-5)17(24-4)16(28-20)12-22-2/h7-8,11,16-20H,9-10,12H2,1-6H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey FTAALMFEPHSSRF-OUUBHVDSSA-N
Molecular Weight 400.468 g/mol
SMILES C(CC1=CC(OC)=C(C=C1)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])OC