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(3S,4R,9R,11S)-3,9,11-trimethoxy-4-methyl-dotriacontane

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(3S,4R,9R,11S)-3,9,11-trimethoxy-4-methyl-dotriacontane
SpectraBase Compound ID IYMdz2CyfVo
InChI InChI=1S/C36H74O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-34(37-4)32-35(38-5)31-28-27-29-33(3)36(8-2)39-6/h33-36H,7-32H2,1-6H3/t33-,34+,35-,36+/m1/s1
InChIKey ICLWTQGYKJANQH-UDCWBUBOSA-N
Mol Weight 555.0 g/mol
Molecular Formula C36H74O3
Exact Mass 554.563796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90VQjyuocEv
Name (3S,4R,9R,11S)-3,9,11-Trimethoxy-4-methyl-dotriacontane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.563796240 u
Formula C36H74O3
InChI InChI=1S/C36H74O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-34(37-4)32-35(38-5)31-28-27-29-33(3)36(8-2)39-6/h33-36H,7-32H2,1-6H3/t33-,34+,35-,36+/m1/s1
InChIKey ICLWTQGYKJANQH-UDCWBUBOSA-N
Molecular Weight 554.985 g/mol
SMILES C(CCCCCCCCCCCCCCCC[C@@](C[C@@](CCCC[C@]([C@@](OC)(CC)[H])(C)[H])(OC)[H])(OC)[H])CCCC