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Pregn-20-en-3-ol, 20-methyl-, (3.beta.,5.alpha.)-

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

Pregn-20-en-3-ol, 20-methyl-, (3.beta.,5.alpha.)-
SpectraBase Compound ID 6qpE0dB0YhK
InChI InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h15-20,23H,1,5-13H2,2-4H3
InChIKey KDQAEGDYMDVBNL-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C22H36O
Exact Mass 316.276616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOcVgUBK3NO
Name Pregn-20-en-3-ol, 20-methyl-, (3.beta.,5.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.276615778 u
Formula C22H36O
InChI InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h15-20,23H,1,5-13H2,2-4H3
InChIKey KDQAEGDYMDVBNL-UHFFFAOYSA-N
Molecular Weight 316.529 g/mol
SMILES C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@](C(C)=C)(CC4)[H])[H])(CC[C@]2(C[C@](CC1)(O)[H])[H])[H])[H]