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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, tms

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, tms
SpectraBase Compound ID I4h0fOHQxdb
InChI InChI=1S/C25H38O8Si/c1-8-16(2)24(27)31-21-12-19(14-29-18(4)26)10-9-11-20(15-30-33-34(5,6)7)13-22-23(21)17(3)25(28)32-22/h10,13,16,21-23H,3,8-9,11-12,14-15H2,1-2,4-7H3/b19-10-,20-13-/t16?,21?,22-,23+/m0/s1
InChIKey MFWAGGMIDYRDCC-QTMCOVHTSA-N
Mol Weight 494.7 g/mol
Molecular Formula C25H38O8Si
Exact Mass 494.233595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6y2nHDAEeyv
Name [(6Z,10Z)-6-(Acetyloxymethyl)-10-(hydroperoxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.233594711 u
Formula C25H38O8Si
InChI InChI=1S/C25H38O8Si/c1-8-16(2)24(27)31-21-12-19(14-29-18(4)26)10-9-11-20(15-30-33-34(5,6)7)13-22-23(21)17(3)25(28)32-22/h10,13,16,21-23H,3,8-9,11-12,14-15H2,1-2,4-7H3/b19-10-,20-13-/t16?,21?,22-,23+/m0/s1
InChIKey MFWAGGMIDYRDCC-QTMCOVHTSA-N
Molecular Weight 494.656 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[Si](C)(C)C