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5beta-Pregnane-3a,17a,20a-triol

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 6 MS (GC)

5beta-Pregnane-3a,17a,20a-triol
SpectraBase Compound ID 5gYjpcq5t6h
InChI InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey SCPADBBISMMJAW-UHHUKTEYSA-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 2vXgSPBN14a
Name 5β-pregnane-3α,17α,20α-triol
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey SCPADBBISMMJAW-UHHUKTEYSA-N
Molecular Weight 336.515991
Synonyms 5B-PREGNANE-3A,17A,20A-TRIOL
Technique KBr WAFER