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5β-pregnane-3α,17,20β,21-tetrol

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

5β-pregnane-3α,17,20β,21-tetrol
SpectraBase Compound ID FQDQFQ5oTpg
InChI InChI=1S/C21H36O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,22-25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey MQSSTQLJJOVNQF-HEEAJRSSSA-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 3vTNqOEWdPs
Name 5β-pregnane-3α,17,20β,21-tetrol
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 977-24-2
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,22-25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey MQSSTQLJJOVNQF-HEEAJRSSSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 221.5-223.5C
Molecular Weight 352.515015
Synonyms 5B-PREGNANE-3A,17,20B,21-TETROL
Technique KBr WAFER