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4-Pregnen-11β,17,20β,21-tetrol-3-one

View entire compound with spectra: 3 FTIR, and 1 Raman

4-Pregnen-11β,17,20β,21-tetrol-3-one
SpectraBase Compound ID 96FURls0s8Z
InChI InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey AWWCEQOCFFQUKS-LCGKLAOVSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HsOEWm9yxqF
Name 4-Pregnen-11β,17,20β,21-tetrol-3-one
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 C21H32O5
InChI InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey AWWCEQOCFFQUKS-LCGKLAOVSA-N
Literature Reference J. ORG. CHEM. 28, 1773(1963) Abstract-Chemical Abstracts= 59, 3985(1963)
Melting Point 120-126C
Molecular Weight 364.481995
Synonyms PREGN-4-EN-3-ONE, 11B,17,20B,21- TETRAHYDROXY-,
Technique KBr WAFER