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(10E,14E)-16-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2,6,10,14-tetramethyl-4,12-bis(oxidanyl)hexadeca-2,10,14-trien-5-one

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

(10E,14E)-16-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2,6,10,14-tetramethyl-4,12-bis(oxidanyl)hexadeca-2,10,14-trien-5-one
SpectraBase Compound ID II7pXkaKMyo
InChI InChI=1S/C28H42O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,24,26,29-31H,8-10,12,15H2,1-7H3/b19-14+,20-11+
InChIKey DDLNEFCPSLEGBF-XNXVHQMYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C28H42O5
Exact Mass 458.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cr5VDfyshPn
Name (10E,14E)-16-(5-Methoxy-3-methyl-2-oxidanyl-phenyl)-2,6,10,14-tetramethyl-4,12-bis(oxidanyl)hexadeca-2,10,14-trien-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.303224447 u
Formula C28H42O5
InChI InChI=1S/C28H42O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,24,26,29-31H,8-10,12,15H2,1-7H3/b19-14+,20-11+
InChIKey DDLNEFCPSLEGBF-XNXVHQMYSA-N
Molecular Weight 458.639 g/mol
SMILES C=1(C(=C(C)C=C(C1)OC)O)C\C=C\(CC(\C=C\(CCCC(C(C(C=C(C)C)O)=O)C)C)O)C