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5β-pregnane-3α,20α,21-triol

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

5β-pregnane-3α,20α,21-triol
SpectraBase Compound ID J9GLoxUFRh4
InChI InChI=1S/C21H36O3/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/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey KTOAERDTKFSYSF-SUTVCERISA-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 1gbeHid4y4N
Name 5β-pregnane-3α,20α,21-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/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey KTOAERDTKFSYSF-SUTVCERISA-N
Melting Point 254.5C
Molecular Weight 336.52
Technique KBr WAFER