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(2R,3S,6R)-3-benzoxy-2-(benzoxymethyl)-6-butyl-3,6-dihydro-2H-pyran-5-carbaldehyde

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(2R,3S,6R)-3-benzoxy-2-(benzoxymethyl)-6-butyl-3,6-dihydro-2H-pyran-5-carbaldehyde
SpectraBase Compound ID 3f3txZpRznl
InChI InChI=1S/C25H30O4/c1-2-3-14-23-22(16-26)15-24(28-18-21-12-8-5-9-13-21)25(29-23)19-27-17-20-10-6-4-7-11-20/h4-13,15-16,23-25H,2-3,14,17-19H2,1H3/t23-,24+,25-/m1/s1
InChIKey RHFJHRIRAMBUKF-DSNGMDLFSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOR1VxKkHp3
Name (2R,3S,6R)-3-Benzoxy-2-(benzoxymethyl)-6-butyl-3,6-dihydro-2H-pyran-5-carbaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.214409442 u
Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-2-3-14-23-22(16-26)15-24(28-18-21-12-8-5-9-13-21)25(29-23)19-27-17-20-10-6-4-7-11-20/h4-13,15-16,23-25H,2-3,14,17-19H2,1H3/t23-,24+,25-/m1/s1
InChIKey RHFJHRIRAMBUKF-DSNGMDLFSA-N
Molecular Weight 394.511 g/mol
SMILES C1(=C[C@](OCC=2C=CC=CC2)([C@](O[C@@]1(CCCC)[H])(COCC=1C=CC=CC1)[H])[H])C=O