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5-Cholesten-3.beta.-ol-7-one, o-ethyloxime

View entire compound with spectra: 1 NMR

5-Cholesten-3.beta.-ol-7-one, o-ethyloxime
SpectraBase Compound ID LJuRFQypfy8
InChI InChI=1S/C29H49NO2/c1-7-32-30-26-18-21-17-22(31)13-15-28(21,5)25-14-16-29(6)23(11-12-24(29)27(25)26)20(4)10-8-9-19(2)3/h18-20,22-25,27,31H,7-17H2,1-6H3/b30-26+
InChIKey BKVYFDQWMLEMHO-URGPHPNLSA-N
Mol Weight 443.7 g/mol
Molecular Formula C29H49NO2
Exact Mass 443.37633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5e2Ak70sHG4
Name 5-Cholesten-3.beta.-ol-7-one, o-ethyloxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.376329820 u
Formula C29H49NO2
InChI InChI=1S/C29H49NO2/c1-7-32-30-26-18-21-17-22(31)13-15-28(21,5)25-14-16-29(6)23(11-12-24(29)27(25)26)20(4)10-8-9-19(2)3/h18-20,22-25,27,31H,7-17H2,1-6H3/b30-26+
InChIKey BKVYFDQWMLEMHO-URGPHPNLSA-N
Molecular Weight 443.716 g/mol
SMILES C12(C(C3C(C4(C(CC(CC4)O)=C\C3=N\OCC)C)CC1)CCC2C(CCCC(C)C)C)C