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2,7-Dioxabicyclo[3.2.1]octan-3-one, 6-(acetyloxy)-8-[1-[(1,3,3-trimethylcyclohexyl)methylene]-2-propenyl]-, [1.alpha.,5.alpha.,6.alpha.,8S*[Z(R*)]]-(+)-

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

2,7-Dioxabicyclo[3.2.1]octan-3-one, 6-(acetyloxy)-8-[1-[(1,3,3-trimethylcyclohexyl)methylene]-2-propenyl]-, [1.alpha.,5.alpha.,6.alpha.,8S*[Z(R*)]]-(+)-
SpectraBase Compound ID 2iJMve8BwoD
InChI InChI=1S/C21H30O5/c1-6-14(11-21(5)9-7-8-20(3,4)12-21)17-15-10-16(23)25-19(17)26-18(15)24-13(2)22/h6,11,15,17-19H,1,7-10,12H2,2-5H3/b14-11-/t15-,17+,18-,19-,21?/m0/s1
InChIKey GXSYTMVMFKTOPV-IWTRFVFCSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3Fte8UmLe8
Name 2,7-Dioxabicyclo[3.2.1]octan-3-one, 6-(acetyloxy)-8-[1-[(1,3,3-trimethylcyclohexyl)methylene]-2-propenyl]-, [1.alpha.,5.alpha.,6.alpha.,8S*[Z(R*)]]-(+)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-6-14(11-21(5)9-7-8-20(3,4)12-21)17-15-10-16(23)25-19(17)26-18(15)24-13(2)22/h6,11,15,17-19H,1,7-10,12H2,2-5H3/b14-11-/t15-,17+,18-,19-,21?/m0/s1
InChIKey GXSYTMVMFKTOPV-IWTRFVFCSA-N
Molecular Weight 362.466 g/mol
SMILES [C@@]12(O[C@](OC(=O)C)([C@@]([C@]1(\C(=C/C1(CC(C)(C)CCC1)C)C=C)[H])([H])CC(O2)=O)[H])[H]