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21-Hydroxypregna-5,16-diene-3, 20-dione, cyclic 3-(ethylene acetal), acetate

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

21-Hydroxypregna-5,16-diene-3, 20-dione, cyclic 3-(ethylene acetal), acetate
SpectraBase Compound ID CcnAKb40WV1
InChI InChI=1S/C25H34O5/c1-16(26)28-15-22(27)21-7-6-19-18-5-4-17-14-25(29-12-13-30-25)11-10-23(17,2)20(18)8-9-24(19,21)3/h4,7,18-20H,5-6,8-15H2,1-3H3/t18-,19-,20-,23-,24-/m0/s1
InChIKey DAFPZFGAYFNEDJ-AZTPLLCYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EOnZeiGGpK0
Name 21-Hydroxypregna-5,16-diene-3, 20-dione, cyclic 3-(ethylene acetal), acetate
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 C25H34O5
InChI InChI=1S/C25H34O5/c1-16(26)28-15-22(27)21-7-6-19-18-5-4-17-14-25(29-12-13-30-25)11-10-23(17,2)20(18)8-9-24(19,21)3/h4,7,18-20H,5-6,8-15H2,1-3H3/t18-,19-,20-,23-,24-/m0/s1
InChIKey DAFPZFGAYFNEDJ-AZTPLLCYSA-N
Melting Point 167.5-170C
Molecular Weight 414.541992
Synonyms PREGNA-5,16-DIENE-3,20-DIONE, 21-HYDROXY-, CYCLIC 3-/ETHYLENE ACETAL/, ACETATE
Technique FILM (CAST FROM CHCl3)