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(-)-1,2:5,6-di-o-cyclohexylidene-L-inositol, diacetate

View entire compound with spectra: 1 NMR

(-)-1,2:5,6-di-o-cyclohexylidene-L-inositol, diacetate
SpectraBase Compound ID 7qm1RuZN3Jz
InChI InChI=1S/C22H32O8/c1-13(23)25-15-16(26-14(2)24)18-20(30-22(28-18)11-7-4-8-12-22)19-17(15)27-21(29-19)9-5-3-6-10-21/h15-20H,3-12H2,1-2H3
InChIKey ZUFNLWFMJYRZHS-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C22H32O8
Exact Mass 424.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4htDlUlqsP
Name (-)-1,2:5,6-di-o-cyclohexylidene-L-inositol, diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.209717982 u
Formula C22H32O8
InChI InChI=1S/C22H32O8/c1-13(23)25-15-16(26-14(2)24)18-20(30-22(28-18)11-7-4-8-12-22)19-17(15)27-21(29-19)9-5-3-6-10-21/h15-20H,3-12H2,1-2H3
InChIKey ZUFNLWFMJYRZHS-UHFFFAOYSA-N
Molecular Weight 424.490 g/mol
SMILES C1(C(C2C(C3C1OC1(O3)CCCCC1)OC1(O2)CCCCC1)OC(C)=O)OC(C)=O