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5.alpha.-Androstan-3-one, 17.beta.-hydroxy-4.alpha.-methyl-, cyclic ethylene acetal

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

5.alpha.-Androstan-3-one, 17.beta.-hydroxy-4.alpha.-methyl-, cyclic ethylene acetal
SpectraBase Compound ID ELQv7sg81Ok
InChI InChI=1S/C22H36O3/c1-14-16-5-4-15-17-6-7-19(23)21(17,3)9-8-18(15)20(16,2)10-11-22(14)24-12-13-25-22/h14-19,23H,4-13H2,1-3H3
InChIKey OWMMPQHLIUCKEV-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhuANmUb79q
Name 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-4.alpha.-methyl-, cyclic ethylene acetal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.266445016 u
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-14-16-5-4-15-17-6-7-19(23)21(17,3)9-8-18(15)20(16,2)10-11-22(14)24-12-13-25-22/h14-19,23H,4-13H2,1-3H3
InChIKey OWMMPQHLIUCKEV-UHFFFAOYSA-N
Molecular Weight 348.527 g/mol
SMILES C12(C)C3C(C4C(CC3)(C)C(O)CC4)CCC2C(C)C2(CC1)OCCO2