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Cholest-5-ene, 3-(2-methoxyethoxy)-, (3.beta.)-
SpectraBase Compound ID BDaTtFjWA9P
InChI InChI=1S/C30H52O2/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-20-24(32-19-18-31-6)14-16-29(23,4)28(25)15-17-30(26,27)5/h10,21-22,24-28H,7-9,11-20H2,1-6H3
InChIKey PIUHQZRZWFGGJL-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GCBmimpQLU
Name Cholest-5-ene, 3-(2-methoxyethoxy)-, (3.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.396730912 u
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-20-24(32-19-18-31-6)14-16-29(23,4)28(25)15-17-30(26,27)5/h10,21-22,24-28H,7-9,11-20H2,1-6H3
InChIKey PIUHQZRZWFGGJL-UHFFFAOYSA-N
Molecular Weight 444.744 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(=CC3)C[C@](CC2)(OCCOC)[H])[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H]