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1,7-bis(3-Methylbut-2-enyl)-3,6,8-tri(2-methylpropyl)oxy-2-methoxyxanthen-9-one

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1,7-bis(3-Methylbut-2-enyl)-3,6,8-tri(2-methylpropyl)oxy-2-methoxyxanthen-9-one
SpectraBase Compound ID 8XCDphLuUr5
InChI InChI=1S/C36H50O6/c1-21(2)12-14-26-28(39-18-23(5)6)16-30-33(36(26)41-20-25(9)10)34(37)32-27(15-13-22(3)4)35(38-11)31(17-29(32)42-30)40-19-24(7)8/h12-13,16-17,23-25H,14-15,18-20H2,1-11H3
InChIKey BPFGMRQGUFJSLY-UHFFFAOYSA-N
Mol Weight 578.8 g/mol
Molecular Formula C36H50O6
Exact Mass 578.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fgacxWGmjf
Name 1,7-bis(3-Methylbut-2-enyl)-3,6,8-tri(2-methylpropyl)oxy-2-methoxyxanthen-9-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.360739324 u
Formula C36H50O6
InChI InChI=1S/C36H50O6/c1-21(2)12-14-26-28(39-18-23(5)6)16-30-33(36(26)41-20-25(9)10)34(37)32-27(15-13-22(3)4)35(38-11)31(17-29(32)42-30)40-19-24(7)8/h12-13,16-17,23-25H,14-15,18-20H2,1-11H3
InChIKey BPFGMRQGUFJSLY-UHFFFAOYSA-N
Molecular Weight 578.790 g/mol
SMILES C12=C(C(CC=C(C)C)=C(C=C2OC2=C(C(=C(OC)C(=C2)OCC(C)C)CC=C(C)C)C1=O)OCC(C)C)OCC(C)C