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3α,21,21-trihydroxy-5β-pregnan-20-one

View entire compound with spectra: 2 FTIR

3α,21,21-trihydroxy-5β-pregnan-20-one
SpectraBase Compound ID JBTtAwzuaBC
InChI InChI=1S/C21H34O4/c1-20-9-7-13(22)11-12(20)3-4-14-15-5-6-17(18(23)19(24)25)21(15,2)10-8-16(14)20/h12-17,19,22,24-25H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,20+,21+/m1/s1
InChIKey MFDPASBDYJZOKB-ISBVJSQZSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EuDtTQ2wL7q
Name 3α,21,21-trihydroxy-5β-pregnan-20-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 C21H34O4
InChI InChI=1S/C21H34O4/c1-20-9-7-13(22)11-12(20)3-4-14-15-5-6-17(18(23)19(24)25)21(15,2)10-8-16(14)20/h12-17,19,22,24-25H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,20+,21+/m1/s1
InChIKey MFDPASBDYJZOKB-ISBVJSQZSA-N
Literature Reference J. ORG. CHEM. 28, 2001(1963) Abstract-Chemical Abstracts= 59, 6474(1963)
Melting Point 129-130C
Molecular Weight 350.498993
Synonyms 5B-PREGNAN-20-ONE, 3A,21,21-TRI- HYDROXY-,
Technique FILM (CAST FROM CHCl3)