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3,5-Cyclopregnan-6-one, 20-methyl-, (3.beta.,5.alpha.)-

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

3,5-Cyclopregnan-6-one, 20-methyl-, (3.beta.,5.alpha.)-
SpectraBase Compound ID AswIrCCJNaP
InChI InChI=1S/C22H34O/c1-13(2)16-5-6-17-15-11-19(23)22-12-14(22)7-10-21(22,4)18(15)8-9-20(16,17)3/h13-18H,5-12H2,1-4H3/t14-,15-,16+,17-,18-,20+,21+,22?/m0/s1
InChIKey VETJRGDIBMMHGZ-JPFIMZGLSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54xqvUPwfSK
Name 3,5-Cyclopregnan-6-one, 20-methyl-, (3.beta.,5.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.260965714 u
Formula C22H34O
InChI InChI=1S/C22H34O/c1-13(2)16-5-6-17-15-11-19(23)22-12-14(22)7-10-21(22,4)18(15)8-9-20(16,17)3/h13-18H,5-12H2,1-4H3/t14-,15-,16+,17-,18-,20+,21+,22?/m0/s1
InChIKey VETJRGDIBMMHGZ-JPFIMZGLSA-N
Molecular Weight 314.513 g/mol
SMILES C123[C@@]([C@]4(CC[C@]5([C@]([C@@]4(CC3=O)[H])(CC[C@@]5(C(C)C)[H])[H])C)[H])(CC[C@]1(C2)[H])C