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2-Hydroxycholest-4-en-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Hydroxycholest-4-en-3-one
SpectraBase Compound ID KEyKyJQLwS0
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3
InChIKey NFZDPXCPUNTQJE-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sFuYpWzOss
Name 2-Hydroxycholest-4-en-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.334130655 u
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3
InChIKey NFZDPXCPUNTQJE-UHFFFAOYSA-N
Molecular Weight 400.647 g/mol
SMILES C1(C(CC2(C(=C1)CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C)O)=O