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1,2-o-Isopropylidene-3-o-(2-naphthylmethyl)-4,5-o-[(1'S)-trans-3'-phenyl-2'-propen-1'-yl]-.beta.-D-fluctopyranose
SpectraBase Compound ID 5lEBCofrgwb
InChI InChI=1S/C29H30O6/c1-28(2)32-19-29(35-28)27(30-17-21-12-14-22-10-6-7-11-23(22)16-21)26-24(18-31-29)33-25(34-26)15-13-20-8-4-3-5-9-20/h3-16,24-27H,17-19H2,1-2H3/b15-13+/t24-,25+,26-,27+,29-/m1/s1
InChIKey FVDMOIDHODYNLD-MNTVOTBASA-N
Mol Weight 474.55 g/mol
Molecular Formula C29H30O6
Exact Mass 474.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0qtXCyw1UG
Name 1,2-o-Isopropylidene-3-o-(2-naphthylmethyl)-4,5-o-[(1'S)-trans-3'-phenyl-2'-propen-1'-yl]-.beta.-D-fluctopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.204238680 u
Formula C29H30O6
InChI InChI=1S/C29H30O6/c1-28(2)32-19-29(35-28)27(30-17-21-12-14-22-10-6-7-11-23(22)16-21)26-24(18-31-29)33-25(34-26)15-13-20-8-4-3-5-9-20/h3-16,24-27H,17-19H2,1-2H3/b15-13+/t24-,25+,26-,27+,29-/m1/s1
InChIKey FVDMOIDHODYNLD-MNTVOTBASA-N
Molecular Weight 474.553 g/mol
SMILES [C@@]12([C@]([C@@]3(O[C@@](\C=C\C4=CC=CC=C4)(O[C@@]3(CO1)[H])[H])[H])(OCC=1C=C3C=CC=CC3=CC1)[H])OC(C)(C)OC2