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16,22-Epoxycholestan-3.beta.-ol

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

16,22-Epoxycholestan-3.beta.-ol
SpectraBase Compound ID JSFvd8kFUWZ
InChI InChI=1S/C27H46O2/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h16-25,28H,6-15H2,1-5H3
InChIKey IXJHLLFJBGNPEW-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E38sW50hog3
Name 16,22-Epoxycholestan-3.beta.-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.349780719 u
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h16-25,28H,6-15H2,1-5H3
InChIKey IXJHLLFJBGNPEW-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C(O1)CCC(C)C)C)C)C)O