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Pregnan-3-ol, 20-methyl-, (3.beta.,5.beta.,17.alpha.)-
SpectraBase Compound ID GKjdZukdmv4
InChI InChI=1S/C22H38O/c1-14(2)18-9-10-19-17-8-6-15-5-7-16(23)13-22(15,4)20(17)11-12-21(18,19)3/h14-20,23H,5-13H2,1-4H3/t15-,16-,17+,18+,19+,20+,21-,22+/m1/s1
InChIKey OAKRLTVUIACRHG-PAJIKSTKSA-N
Mol Weight 318.5 g/mol
Molecular Formula C22H38O
Exact Mass 318.292266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 693nysy5EEs
Name Pregnan-3-ol, 20-methyl-, (3.beta.,5.beta.,17.alpha.)-
Comments Computed using HOSE algorithm
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Exact Mass 318.292265843 u
Formula C22H38O
InChI InChI=1S/C22H38O/c1-14(2)18-9-10-19-17-8-6-15-5-7-16(23)13-22(15,4)20(17)11-12-21(18,19)3/h14-20,23H,5-13H2,1-4H3/t15-,16-,17+,18+,19+,20+,21-,22+/m1/s1
InChIKey OAKRLTVUIACRHG-PAJIKSTKSA-N
Molecular Weight 318.545 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C[C@@](CC4)(O)[H])C)[H])[H])(CC[C@]1(C(C)C)[H])[H])C