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25-Hydroxycholesterol, 3-methyl ether

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

25-Hydroxycholesterol, 3-methyl ether
SpectraBase Compound ID JspN20qEeCb
InChI InChI=1S/C28H48O2/c1-19(8-7-15-26(2,3)29)23-11-12-24-22-10-9-20-18-21(30-6)13-16-27(20,4)25(22)14-17-28(23,24)5/h9,19,21-25,29H,7-8,10-18H2,1-6H3
InChIKey ICKQMIJINGRWRF-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7d4a65x7Ek
Name 25-Hydroxycholesterol, 3-methyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-19(8-7-15-26(2,3)29)23-11-12-24-22-10-9-20-18-21(30-6)13-16-27(20,4)25(22)14-17-28(23,24)5/h9,19,21-25,29H,7-8,10-18H2,1-6H3
InChIKey ICKQMIJINGRWRF-UHFFFAOYSA-N
Molecular Weight 416.690 g/mol
SMILES C12(CCC(CC2=CCC2C1CCC1(C2CCC1C(CCCC(O)(C)C)C)C)OC)C