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3β-hydroxy-16α-methylpregn-5-en-20-one

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

3β-hydroxy-16α-methylpregn-5-en-20-one
SpectraBase Compound ID 6lsJjS7XI8H
InChI InChI=1S/C22H34O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,13,16-20,24H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m1/s1
InChIKey XXSFRYVGIQYVIQ-RDTLVLTASA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87gY2bbtZns
Name 3β-hydroxy-16α-methylpregn-5-en-20-one
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,13,16-20,24H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m1/s1
InChIKey XXSFRYVGIQYVIQ-RDTLVLTASA-N
Melting Point 184-187C
Molecular Weight 330.52
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PREGNENOLONE, 16A-METHYL-, PREGN-5-EN-20-ONE, 3B-HYDROXY- 16A-METHYL-,