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2-Butenoic acid, 3-methyl-, 4,4a,5,6,7,9-hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester, (4.alpha.,4a.alpha.,5.alpha.)-

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

2-Butenoic acid, 3-methyl-, 4,4a,5,6,7,9-hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester, (4.alpha.,4a.alpha.,5.alpha.)-
SpectraBase Compound ID Kamni0pW0kq
InChI InChI=1S/C20H24O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8-10,13,19H,6-7H2,1-5H3/t13-,19+,20+/m1/s1
InChIKey PCHPVSBVXHKMOZ-CWVNLOTRSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ei36ld7rwPz
Name 2-Butenoic acid, 3-methyl-, 4,4A,5,6,7,9-hexahydro-3,4A,5-trimethyl-9-oxonaphtho[2,3-B]furan-4-yl ester, (4.alpha.,4A.alpha.,5.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8-10,13,19H,6-7H2,1-5H3/t13-,19+,20+/m1/s1
InChIKey PCHPVSBVXHKMOZ-CWVNLOTRSA-N
Molecular Weight 328.408 g/mol
SMILES C12=C([C@](OC(C=C(C)C)=O)([C@@]3(C(C2=O)=CCC[C@]3(C)[H])C)[H])C(C)=CO1