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17,20α,21-trihydroxypregn-4-en-3-one

View entire compound with spectra: 1 NMR, and 1 FTIR

17,20α,21-trihydroxypregn-4-en-3-one
SpectraBase Compound ID IjWVtOMNkfk
InChI InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKey XNFSGLNHLVHCFT-MQWPULPWSA-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 ESjJWWZJhCM
Name 17,20α,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/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKey XNFSGLNHLVHCFT-MQWPULPWSA-N
Melting Point 224-226C
Molecular Weight 348.483002
Synonyms PREGN-4-EN-3-ONE, 17,20A,21-TRI- HYDROXY-, PREGN-4-EN-3-ONE, 17,20A,21-TRI- HYDROXY-,
Technique KBr WAFER