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3a,21-Dihydroxy-5b-pregnan-20-one

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

3a,21-Dihydroxy-5b-pregnan-20-one
SpectraBase Compound ID 889uDyUyJyk
InChI InChI=1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey CYKYBWRSLLXBOW-DATPGIFZSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4oyq2DRev6w
Name 3α,21-dihydroxy-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 C21H34O3
InChI InChI=1S/C21H34O3/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/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey CYKYBWRSLLXBOW-DATPGIFZSA-N
Melting Point 151-153.5C
Molecular Weight 334.50
Technique KBr WAFER