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5β-pregnane-3α,20α,21-triol
SpectraBase Compound ID J9GLoxUFRh4
InChI InChI=1S/C21H36O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey KTOAERDTKFSYSF-SUTVCERISA-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 EosKA38Bizf
Name 5β-pregnane-3α,20α,21-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/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey KTOAERDTKFSYSF-SUTVCERISA-N
Literature Reference J. ORG. CHEM. 34, 3505(1969) Abstract-Chemical Abstracts= 72, 12958(1969)
Melting Point 254.5C
Molecular Weight 336.515991
Synonyms 5B-PREGNANE-3A,20A,21-TRIOL
Technique KBr WAFER