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4,6,8,10,12,14,16,18,20-Heneicosanonaen-3-one, 5-hydroxy-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z,E,E,E,E,E,E,E,E)-

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

4,6,8,10,12,14,16,18,20-Heneicosanonaen-3-one, 5-hydroxy-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z,E,E,E,E,E,E,E,E)-
SpectraBase Compound ID DzxMg8nBRwJ
InChI InChI=1S/C35H48O2/c1-26(2)33(36)25-34(37)31(7)20-13-19-28(4)16-11-10-15-27(3)17-12-18-29(5)22-23-32-30(6)21-14-24-35(32,8)9/h10-13,15-20,22-23,25-26,37H,14,21,24H2,1-9H3/b11-10+,17-12+,19-13+,23-22+,27-15+,28-16+,29-18+,31-20+,34-25-
InChIKey AIAPOCQHOKMALU-GVOLCETDSA-N
Mol Weight 500.8 g/mol
Molecular Formula C35H48O2
Exact Mass 500.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiRnmaPTuSB
Name 4,6,8,10,12,14,16,18,20-Heneicosanonaen-3-one, 5-hydroxy-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z,E,E,E,E,E,E,E,E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.365430784 u
Formula C35H48O2
InChI InChI=1S/C35H48O2/c1-26(2)33(36)25-34(37)31(7)20-13-19-28(4)16-11-10-15-27(3)17-12-18-29(5)22-23-32-30(6)21-14-24-35(32,8)9/h10-13,15-20,22-23,25-26,37H,14,21,24H2,1-9H3/b11-10+,17-12+,19-13+,23-22+,27-15+,28-16+,29-18+,31-20+,34-25-
InChIKey AIAPOCQHOKMALU-GVOLCETDSA-N
Molecular Weight 500.767 g/mol
SMILES C1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C(=O)C(C)C)O)C)C)C)C)=C(CCCC1(C)C)C