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(3'E,3R,2''R,5''R,7''R) / (3'Z,3R,2''S,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-3'-en-1'-yl]-3H-isobenzofuran-1-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(3'E,3R,2''R,5''R,7''R) / (3'Z,3R,2''S,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-3'-en-1'-yl]-3H-isobenzofuran-1-one
SpectraBase Compound ID 41nIQUAKGkC
InChI InChI=1S/C24H32O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h4-5,14-17,20H,6-13H2,1-3H3/b5-4-/t16-,17-,20+,24+/m0/s1
InChIKey GAYPYRKKUJHITB-ZVHQFULWSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3geUnkOedLM
Name (3'E,3R,2''R,5''R,7''R) / (3'Z,3R,2''S,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-3'-en-1'-yl]-3H-isobenzofuran-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.219888744 u
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h4-5,14-17,20H,6-13H2,1-3H3/b5-4-/t16-,17-,20+,24+/m0/s1
InChIKey GAYPYRKKUJHITB-ZVHQFULWSA-N
Molecular Weight 416.514 g/mol
SMILES C1=2C(O[C@@](C2C=C(C=C1OC)OC)(CC\C=C/C[C@@]1(O[C@]2(O[C@@](C)(CC2)[H])CCC1)[H])[H])=O