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5β-pregnane-3α,6α,20α-triol

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

5β-pregnane-3α,6α,20α-triol
SpectraBase Compound ID 4BJDGm3ps7X
InChI InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14-,15+,16-,17-,18-,19-,20+,21+/m0/s1
InChIKey SWHHMTKXNOSPLE-CJCIAWFASA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2qGGgcFKWPu
Name 5β-pregnane-3α,6α,20α-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 C21H36O3
InChI InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14-,15+,16-,17-,18-,19-,20+,21+/m0/s1
InChIKey SWHHMTKXNOSPLE-CJCIAWFASA-N
Melting Point 236-237C
Molecular Weight 336.515040
Synonyms 5B-PREGNANE-3A,6A,20A-TRIOL
Technique KBr WAFER