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[(6E,10Z)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate, ac derivative

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[(6E,10Z)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate, ac derivative
SpectraBase Compound ID BQDPjebuNy2
InChI InChI=1S/C22H28O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(11-28-14(4)24)7-6-8-16(10-23)19(20)25/h8-10,12,17-20,25H,3,5-7,11H2,1-2,4H3/b15-9-,16-8-
InChIKey IJHDXAIEPCRURJ-KUONJXJVSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbBVKabGduC
Name [(6E,10Z)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3A,4,5,8,9,11A-hexahydrocyclodeca[B]furan-4-yl] 2-methylbutanoate, ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.178417854 u
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(11-28-14(4)24)7-6-8-16(10-23)19(20)25/h8-10,12,17-20,25H,3,5-7,11H2,1-2,4H3/b15-9-,16-8-
InChIKey IJHDXAIEPCRURJ-KUONJXJVSA-N
Molecular Weight 420.458 g/mol
SMILES C1C\C(=C\C2C(C(C(\C(=C/1)C=O)O)OC(C(C)CC)=O)C(=C)C(O2)=O)COC(=O)C