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Cholesterol, 7-oxo-, 2-ethylbutyrate

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Cholesterol, 7-oxo-, 2-ethylbutyrate
SpectraBase Compound ID 5K0e7rKjpLY
InChI InChI=1S/C33H54O3/c1-8-23(9-2)31(35)36-25-15-17-32(6)24(19-25)20-29(34)30-27-14-13-26(22(5)12-10-11-21(3)4)33(27,7)18-16-28(30)32/h20-23,25-28,30H,8-19H2,1-7H3
InChIKey XKEGJRNLHRKOAB-UHFFFAOYSA-N
Mol Weight 498.8 g/mol
Molecular Formula C33H54O3
Exact Mass 498.407296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJX3c4l5sHP
Name Cholesterol, 7-oxo-, 2-ethylbutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.407295596 u
Formula C33H54O3
InChI InChI=1S/C33H54O3/c1-8-23(9-2)31(35)36-25-15-17-32(6)24(19-25)20-29(34)30-27-14-13-26(22(5)12-10-11-21(3)4)33(27,7)18-16-28(30)32/h20-23,25-28,30H,8-19H2,1-7H3
InChIKey XKEGJRNLHRKOAB-UHFFFAOYSA-N
Molecular Weight 498.792 g/mol
SMILES C1CC2(C(CC1OC(C(CC)CC)=O)=CC(C1C2CCC2(C1CCC2C(CCCC(C)C)C)C)=O)C