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5.beta.-Pregnane-3.alpha.,11.beta.,20.alpha.-triol

View entire compound with spectra: 2 FTIR, 1 Raman, and 3 MS (GC)

5.beta.-Pregnane-3.alpha.,11.beta.,20.alpha.-triol
SpectraBase Compound ID BTvQ4ecOGAA
InChI InChI=1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey CZHLKVQGWWCQEG-RQTZUPFWSA-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 IkhAN9ENnPt
Name 5β-pregnane-3α,11β,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)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey CZHLKVQGWWCQEG-RQTZUPFWSA-N
Melting Point 206.5-207C
Molecular Weight 336.515991
Synonyms 5B-PREGNANE-3A,11B,20A-TRIOL
Technique KBr WAFER