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21-Hydroxypregn-5-ene-3,20-dione, cyclic 3-(ethylene acetal), acetate

View entire compound with spectra: 1 FTIR

21-Hydroxypregn-5-ene-3,20-dione, cyclic 3-(ethylene acetal), acetate
SpectraBase Compound ID EFSjAetpJaU
InChI InChI=1S/C25H36O5/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/h4,18-21H,5-15H2,1-3H3/t18-,19-,20-,21+,23-,24-/m0/s1
InChIKey JEPJOTLSPRNHQM-OCCJOITDSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2nU98SjwGTS
Name 21-Hydroxypregn-5-ene-3,20-dione, cyclic 3-(ethylene acetal), acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 13382-00-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/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/h4,18-21H,5-15H2,1-3H3/t18-,19-,20-,21+,23-,24-/m0/s1
InChIKey JEPJOTLSPRNHQM-OCCJOITDSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 205-208C
Molecular Weight 416.558014
Synonyms PREGN-5-ENE-3,20-DIONE, 21-HYDROXY-, CYCLIC 3-/ETHYLENE ACETAL/, ACETATE
Technique KBr WAFER