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5β-pregnane-3α,6α,17,20β-tetrol

View entire compound with spectra: 1 NMR, and 2 FTIR

5β-pregnane-3α,6α,17,20β-tetrol
SpectraBase Compound ID 2RKBrDUlf7g
InChI InChI=1S/C21H36O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+,18+,19-,20+,21+/m1/s1
InChIKey SENSDRYGCFGXOG-FJSJTVQLSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IJRpLCfbmet
Name 5β-pregnane-3α,6α,17,20β-tetrol
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 C21H36O4
InChI InChI=1S/C21H36O4/c1-12(22)21(25)9-6-16-14-11-18(24)17-10-13(23)4-7-19(17,2)15(14)5-8-20(16,21)3/h12-18,22-25H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+,18+,19-,20+,21+/m1/s1
InChIKey SENSDRYGCFGXOG-FJSJTVQLSA-N
Melting Point 249.5-252.6C
Molecular Weight 352.52
Technique KBr WAFER