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Cholestan-3,26-diol-22-one

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

Cholestan-3,26-diol-22-one
SpectraBase Compound ID E9uyMvQmyKa
InChI InChI=1S/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-24,28-29H,5-16H2,1-4H3
InChIKey OUKIWFWXAQHOAU-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lpQfsSkJUl
Name Cholestan-3,26-diol-22-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.344695338 u
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-24,28-29H,5-16H2,1-4H3
InChIKey OUKIWFWXAQHOAU-UHFFFAOYSA-N
Molecular Weight 418.662 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C(CCC(CO)C)=O)C)C)C)O