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

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(3S,4R,9R,11S)-3,9,11-trimethoxy-4-methyl-tetratriacontane
SpectraBase Compound ID DnW0wtFL7uJ
InChI InChI=1S/C38H78O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-36(39-4)34-37(40-5)33-30-29-31-35(3)38(8-2)41-6/h35-38H,7-34H2,1-6H3/t35-,36+,37-,38+/m1/s1
InChIKey GDEMQQYJDNAYCP-UYFSSDKWSA-N
Mol Weight 583.0 g/mol
Molecular Formula C38H78O3
Exact Mass 582.595096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQRKj3cs0G7
Name (3S,4R,9R,11S)-3,9,11-Trimethoxy-4-methyl-tetratriacontane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.595096369 u
Formula C38H78O3
InChI InChI=1S/C38H78O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-36(39-4)34-37(40-5)33-30-29-31-35(3)38(8-2)41-6/h35-38H,7-34H2,1-6H3/t35-,36+,37-,38+/m1/s1
InChIKey GDEMQQYJDNAYCP-UYFSSDKWSA-N
Molecular Weight 583.039 g/mol
SMILES C(CCCCCCCCCCCCCCCC[C@@](C[C@@](CCCC[C@]([C@@](OC)(CC)[H])(C)[H])(OC)[H])(OC)[H])CCCCCC