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20α,21-dihydroxypregn-4-en-3-one

View entire compound with spectra: 2 FTIR, and 1 MS (GC)

20α,21-dihydroxypregn-4-en-3-one
SpectraBase Compound ID 1PlFw0fq82J
InChI InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-19,22,24H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey ZCFUAGVJMSGCHS-UJPCIWJBSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID G4mP1jSzZfl
Name 20α,21-dihydroxypregn-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 C21H32O3
InChI InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-19,22,24H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey ZCFUAGVJMSGCHS-UJPCIWJBSA-N
Literature Reference J. ORG. CHEM. 29, 2559(1964) Abstract-Chemical Abstracts= 61, 10739(1964)
Melting Point 196.5-198.5C
Molecular Weight 332.484009
Synonyms PREGN-4-EN-3-ONE, 20A,21-DI- HYDROXY-,
Technique KBr WAFER