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1,7,11-Cyclotetradecatriene-1-methanol, 7,11-dimethyl-4-(5-methyl-1-methylene-4-hexenyl)-, acetate, [R-(Z,Z,E)]-
SpectraBase Compound ID 5QpIKTe1zj7
InChI InChI=1S/C27H42O2/c1-21(2)10-7-14-24(5)27-18-16-23(4)12-8-11-22(3)13-9-15-26(17-19-27)20-29-25(6)28/h10,12-13,17,27H,5,7-9,11,14-16,18-20H2,1-4,6H3/b22-13-,23-12-,26-17+/t27-/m1/s1
InChIKey VXHSCMMTIPZZMF-ZZFLSFPWSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BDVRvSxaJ3
Name 1,7,11-Cyclotetradecatriene-1-methanol, 7,11-dimethyl-4-(5-methyl-1-methylene-4-hexenyl)-, acetate, [R-(Z,Z,E)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.318480590 u
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-21(2)10-7-14-24(5)27-18-16-23(4)12-8-11-22(3)13-9-15-26(17-19-27)20-29-25(6)28/h10,12-13,17,27H,5,7-9,11,14-16,18-20H2,1-4,6H3/b22-13-,23-12-,26-17+/t27-/m1/s1
InChIKey VXHSCMMTIPZZMF-ZZFLSFPWSA-N
Molecular Weight 398.631 g/mol
SMILES C([C@]1(C\C=C\(COC(=O)C)CC\C=C/(CC\C=C/(CC1)C)C)[H])(=C)CCC=C(C)C