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21-Hydroxypregn-4-en-3-one

View entire compound with spectra: 1 NMR, and 2 FTIR

21-Hydroxypregn-4-en-3-one
SpectraBase Compound ID LwsKdtYVMm9
InChI InChI=1S/C21H32O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19,22H,3-12H2,1-2H3/t14-,17+,18+,19+,20-,21+/m1/s1
InChIKey UQTWKHIKMJNREL-CBQIQWOPSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID G5zgEqDbtlq
Name 21-Hydroxypregn-4-en-3-one
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 5598-02-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h13-14,17-19,22H,3-12H2,1-2H3/t14-,17+,18+,19+,20-,21+/m1/s1
InChIKey UQTWKHIKMJNREL-CBQIQWOPSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 131-132C
Molecular Weight 316.484985
Synonyms PREGN-4-EN-3-ONE, 21-HYDROXY-,
Technique KBr WAFER