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3α,6α,17-trihydroxy-5β-pregnan-20-one

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

3α,6α,17-trihydroxy-5β-pregnan-20-one
SpectraBase Compound ID LTmqCyKk0vU
InChI InChI=1S/C21H34O4/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/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18+,19-,20+,21+/m1/s1
InChIKey XBKMYUZPSUAVAK-KHPLUVTOSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 76VgV5Kv1Yn
Name 3α,6α,17-trihydroxy-5β-pregnan-20-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 C21H34O4
InChI InChI=1S/C21H34O4/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/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18+,19-,20+,21+/m1/s1
InChIKey XBKMYUZPSUAVAK-KHPLUVTOSA-N
Literature Reference J. BIOL. CHEM. 241, 5325(1966) Abstract-Chemical Abstracts= 65, 18939(1966)
Melting Point 208-210C
Molecular Weight 350.498993
Synonyms 5B-PREGNAN-20-ONE, 3A,6A,17-TRI- HYDROXY-,
Technique KBr WAFER