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Leukotridentochinone-trimethylether

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

Leukotridentochinone-trimethylether
SpectraBase Compound ID Im5IJQwpWYU
InChI InChI=1S/C29H42O4/c1-19-11-9-13-20(2)15-17-22-25(30-6)27(32-8)24-23(18-16-21(3)14-10-12-19)29(4,5)33-28(24)26(22)31-7/h11,14-15,23H,9-10,12-13,16-18H2,1-8H3/b19-11+,20-15+,21-14+/t23-/m0/s1
InChIKey GXHGDZBXORXRHD-FAMQIDCISA-N
Mol Weight 454.7 g/mol
Molecular Formula C29H42O4
Exact Mass 454.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID In8vjsKLFb2
Name Leukotridentochinone-trimethylether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.308309828 u
Formula C29H42O4
InChI InChI=1S/C29H42O4/c1-19-11-9-13-20(2)15-17-22-25(30-6)27(32-8)24-23(18-16-21(3)14-10-12-19)29(4,5)33-28(24)26(22)31-7/h11,14-15,23H,9-10,12-13,16-18H2,1-8H3/b19-11+,20-15+,21-14+/t23-/m0/s1
InChIKey GXHGDZBXORXRHD-FAMQIDCISA-N
Molecular Weight 454.651 g/mol
SMILES C1=2C(=C(C3=C(C2OC([C@]1(CC\C(=C\CC\C(=C\CC\C(=C\C3)C)C)C)[H])(C)C)OC)OC)OC