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21,21-Dibromo-5β-pregnane-3α,17,20β-triol

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21,21-Dibromo-5β-pregnane-3α,17,20β-triol
SpectraBase Compound ID 8ZfbzU7iP43
InChI InChI=1S/C21H34Br2O3/c1-19-8-5-13(24)11-12(19)3-4-14-15(19)6-9-20(2)16(14)7-10-21(20,26)17(25)18(22)23/h12-18,24-26H,3-11H2,1-2H3/t12-,13-,14-,15+,16+,17-,19+,20+,21+/m1/s1
InChIKey DKPTYLXKPICLHC-GCUGFJLCSA-N
Mol Weight 494.3 g/mol
Molecular Formula C21H34Br2O3
Exact Mass 492.087471 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2ZEKhgFXqs9
Name 21,21-Dibromo-5β-pregnane-3α,17,20β-triol
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 C21H34Br2O3
InChI InChI=1S/C21H34Br2O3/c1-19-8-5-13(24)11-12(19)3-4-14-15(19)6-9-20(2)16(14)7-10-21(20,26)17(25)18(22)23/h12-18,24-26H,3-11H2,1-2H3/t12-,13-,14-,15+,16+,17-,19+,20+,21+/m1/s1
InChIKey DKPTYLXKPICLHC-GCUGFJLCSA-N
Melting Point 200.5-201.5C
Molecular Weight 494.32
Technique KBr WAFER