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3α,11β,21-trihydroxy-5β-pregnan-20-one

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

3α,11β,21-trihydroxy-5β-pregnan-20-one
SpectraBase Compound ID IrGj6CiYCoW
InChI InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
InChIKey RHQQHZQUAMFINJ-DTDWNVJFSA-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 21LbVAmqSzB
Name 3α,11β,21-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/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
InChIKey RHQQHZQUAMFINJ-DTDWNVJFSA-N
Melting Point 144.5-145.5C
Molecular Weight 350.50
Technique KBr WAFER