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5β-pregnane-3α,12α,20α,21-tetrol

View entire compound with spectra: 2 FTIR

5β-pregnane-3α,12α,20α,21-tetrol
SpectraBase Compound ID 8clStaDUY9G
InChI InChI=1S/C21H36O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h12-19,22-25H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey MPNKLEBVCINBTK-LNIJRKQTSA-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 1gFi220Xy90
Name 5β-pregnane-3α,12α,20α,21-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/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(24)11-22)21(15,2)19(25)10-17(14)20/h12-19,22-25H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey MPNKLEBVCINBTK-LNIJRKQTSA-N
Melting Point 218-219C
Molecular Weight 352.515015
Synonyms 5B-PREGNANE-3A,12A,20A,21-TETROL
Technique FILM (CAST FROM ISOPROPYL ALCOHOL)