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[(6Z,10Z)-6-(Acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate

View entire compound with spectra: 1 NMR

[(6Z,10Z)-6-(Acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate
SpectraBase Compound ID IlruguB3UmJ
InChI InChI=1S/C22H30O8/c1-5-13(2)21(24)29-18-9-16(11-27-15(4)23)7-6-8-17(12-28-26)10-19-20(18)14(3)22(25)30-19/h7,10,13,18-20,26H,3,5-6,8-9,11-12H2,1-2,4H3/b16-7-,17-10-/t13?,18?,19-,20+/m0/s1
InChIKey PCLOCELNWLWLIJ-LUGDZXTGSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ehjoewo2Juu
Name [(6Z,10Z)-6-(Acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.194067918 u
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-5-13(2)21(24)29-18-9-16(11-27-15(4)23)7-6-8-17(12-28-26)10-19-20(18)14(3)22(25)30-19/h7,10,13,18-20,26H,3,5-6,8-9,11-12H2,1-2,4H3/b16-7-,17-10-/t13?,18?,19-,20+/m0/s1
InChIKey PCLOCELNWLWLIJ-LUGDZXTGSA-N
Molecular Weight 422.474 g/mol
SMILES C1C\C(=C\[C@]2([C@@](C(C\C(=C\1)COC(=O)C)OC(C(CC)C)=O)(C(=C)C(O2)=O)[H])[H])COO