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(1E,5E,7E,11E,13E,15E,17E)-7,12,16-trimethyl-3-methylene-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-4-octadeca-1,5,7,11,13,15,17-heptaen-9-ynol

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(1E,5E,7E,11E,13E,15E,17E)-7,12,16-trimethyl-3-methylene-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-4-octadeca-1,5,7,11,13,15,17-heptaen-9-ynol
SpectraBase Compound ID AGHFhAiLO1A
InChI InChI=1S/C40H54O/c1-30(18-13-19-32(3)22-25-36-33(4)20-14-28-39(36,7)8)16-11-12-17-31(2)23-27-38(41)35(6)24-26-37-34(5)21-15-29-40(37,9)10/h13,16-19,22-27,38,41H,6,14-15,20-21,28-29H2,1-5,7-10H3/b18-13+,25-22+,26-24+,27-23+,30-16+,31-17+,32-19+
InChIKey RHXTXTHXXQCSQL-UEWGOTIASA-N
Mol Weight 550.9 g/mol
Molecular Formula C40H54O
Exact Mass 550.417466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEn78ibIqZt
Name (1E,5E,7E,11E,13E,15E,17E)-7,12,16-Trimethyl-3-methylene-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-4-octadeca-1,5,7,11,13,15,17-heptaen-9-ynol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.417466358 u
Formula C40H54O
InChI InChI=1S/C40H54O/c1-30(18-13-19-32(3)22-25-36-33(4)20-14-28-39(36,7)8)16-11-12-17-31(2)23-27-38(41)35(6)24-26-37-34(5)21-15-29-40(37,9)10/h13,16-19,22-27,38,41H,6,14-15,20-21,28-29H2,1-5,7-10H3/b18-13+,25-22+,26-24+,27-23+,30-16+,31-17+,32-19+
InChIKey RHXTXTHXXQCSQL-UEWGOTIASA-N
Molecular Weight 550.871 g/mol
SMILES C1(\C=C\C(C(\C=C\C(=C\C#C\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)O)=C)=C(CCCC1(C)C)C