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3α,21-dihydroxy-5β-pregnane-11,20-dione, cyclic 20-(ethylene acetal)

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

3α,21-dihydroxy-5β-pregnane-11,20-dione, cyclic 20-(ethylene acetal)
SpectraBase Compound ID wtErdMoUbc
InChI InChI=1S/C23H36O5/c1-21-8-7-15(25)11-14(21)3-4-16-17-5-6-19(23(13-24)27-9-10-28-23)22(17,2)12-18(26)20(16)21/h14-17,19-20,24-25H,3-13H2,1-2H3/t14-,15-,16+,17+,19+,20-,21+,22+/m1/s1
InChIKey ILFJGFSLEBMKQI-DMXNGTSASA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FY1B9PuyU7S
Name 3α,21-dihydroxy-5β-pregnane-11,20-dione, cyclic 20-(ethylene acetal)
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 C23H36O5
InChI InChI=1S/C23H36O5/c1-21-8-7-15(25)11-14(21)3-4-16-17-5-6-19(23(13-24)27-9-10-28-23)22(17,2)12-18(26)20(16)21/h14-17,19-20,24-25H,3-13H2,1-2H3/t14-,15-,16+,17+,19+,20-,21+,22+/m1/s1
InChIKey ILFJGFSLEBMKQI-DMXNGTSASA-N
Melting Point 190-192C
Molecular Weight 392.54
Technique KBr WAFER