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Cholestan-16,22-epoxy-26-ol-3-one ethyl ether

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Cholestan-16,22-epoxy-26-ol-3-one ethyl ether
SpectraBase Compound ID JTh6Btvc5Cm
InChI InChI=1S/C29H48O3/c1-6-31-18(2)8-7-9-25-19(3)27-26(32-25)17-24-22-11-10-20-16-21(30)12-14-28(20,4)23(22)13-15-29(24,27)5/h18-20,22-27H,6-17H2,1-5H3
InChIKey IYESHEBTMKZHRD-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jp58atBZVeh
Name Cholestan-16,22-epoxy-26-ol-3-one ethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 444.360345403 u
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-6-31-18(2)8-7-9-25-19(3)27-26(32-25)17-24-22-11-10-20-16-21(30)12-14-28(20,4)23(22)13-15-29(24,27)5/h18-20,22-27H,6-17H2,1-5H3
InChIKey IYESHEBTMKZHRD-UHFFFAOYSA-N
Molecular Weight 444.700 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C(O1)CCCC(C)OCC)C)C)C)=O