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3-Cholestanol piperidinomethyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Cholestanol piperidinomethyl ether
SpectraBase Compound ID 85kedbSHceZ
InChI InChI=1S/C33H59NO/c1-24(2)10-9-11-25(3)29-14-15-30-28-13-12-26-22-27(35-23-34-20-7-6-8-21-34)16-18-32(26,4)31(28)17-19-33(29,30)5/h24-31H,6-23H2,1-5H3
InChIKey WUXKOXGUVJRHBO-UHFFFAOYSA-N
Mol Weight 485.8 g/mol
Molecular Formula C33H59NO
Exact Mass 485.459666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDEKyW47D9Q
Name 3-Cholestanol piperidinomethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.459665523 u
Formula C33H59NO
InChI InChI=1S/C33H59NO/c1-24(2)10-9-11-25(3)29-14-15-30-28-13-12-26-22-27(35-23-34-20-7-6-8-21-34)16-18-32(26,4)31(28)17-19-33(29,30)5/h24-31H,6-23H2,1-5H3
InChIKey WUXKOXGUVJRHBO-UHFFFAOYSA-N
Molecular Weight 485.841 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)CCCC(C)C)C)C)OCN1CCCCC1