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(3S,3aS,4S,5S,7aR)-4,5-Di(4-methoxybenzyl)oxy-3-methyl-3a,4,6,6,7,7a-hexahydrobenzo[b]furan-2(3H)-one

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(3S,3aS,4S,5S,7aR)-4,5-Di(4-methoxybenzyl)oxy-3-methyl-3a,4,6,6,7,7a-hexahydrobenzo[b]furan-2(3H)-one
SpectraBase Compound ID EQCLtVKWXJI
InChI InChI=1S/C25H30O6/c1-16-23-21(31-25(16)26)12-13-22(29-14-17-4-8-19(27-2)9-5-17)24(23)30-15-18-6-10-20(28-3)11-7-18/h4-11,16,21-24H,12-15H2,1-3H3/t16-,21+,22-,23+,24+/m0/s1
InChIKey PFMHVZQCSSXJIA-AEXWLAFLSA-N
Mol Weight 426.51 g/mol
Molecular Formula C25H30O6
Exact Mass 426.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ccsE6l2Bo4
Name (3S,3as,4S,5S,7ar)-4,5-di(4-Methoxybenzyl)oxy-3-methyl-3A,4,6,6,7,7A-hexahydrobenzo[B]furan-2(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.204238680 u
Formula C25H30O6
InChI InChI=1S/C25H30O6/c1-16-23-21(31-25(16)26)12-13-22(29-14-17-4-8-19(27-2)9-5-17)24(23)30-15-18-6-10-20(28-3)11-7-18/h4-11,16,21-24H,12-15H2,1-3H3/t16-,21+,22-,23+,24+/m0/s1
InChIKey PFMHVZQCSSXJIA-AEXWLAFLSA-N
Molecular Weight 426.509 g/mol
SMILES [C@]12([C@](OC([C@]2(C)[H])=O)(CC[C@@]([C@]1(OCC=1C=CC(=CC1)OC)[H])(OCC1=CC=C(C=C1)OC)[H])[H])[H]