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11α,20β,21-trihydroxypregn-4-en-3-one

View entire compound with spectra: 2 FTIR

11α,20β,21-trihydroxypregn-4-en-3-one
SpectraBase Compound ID Dku7s3YsjDj
InChI InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-19,22,24-25H,3-8,10-11H2,1-2H3/t14-,15-,16+,17+,18+,19+,20-,21-/m0/s1
InChIKey DCMCEXCRUWBAFV-XXWVXFISSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2oYeefzTqby
Name 11α,20β,21-trihydroxypregn-4-en-3-one
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-19,22,24-25H,3-8,10-11H2,1-2H3/t14-,15-,16+,17+,18+,19+,20-,21-/m0/s1
InChIKey DCMCEXCRUWBAFV-XXWVXFISSA-N
Literature Reference J. ORG. CHEM. 29, 2559(1964) Abstract-Chemical Abstracts= 61, 10739(1964)
Melting Point 197-198C
Molecular Weight 348.483002
Synonyms PREGN-4-EN-3-ONE, 11A,20B,21-TRI- HYDROXY-,
Technique KBr WAFER