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21-Hydroxypregna-5,16-diene-3,20-dione, cyclic bis(ethylene acetal)
SpectraBase Compound ID 5RkzbylGyxv
InChI InChI=1S/C25H36O5/c1-22-9-10-24(27-11-12-28-24)15-17(22)3-4-18-19-5-6-21(23(19,2)8-7-20(18)22)25(16-26)29-13-14-30-25/h3,6,18-20,26H,4-5,7-16H2,1-2H3/t18-,19-,20-,22-,23-/m0/s1
InChIKey VPUICJQFBIKPKH-CWMMHYCISA-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 8rxRJhU4hv0
Name 21-Hydroxypregna-5,16-diene-3,20-dione, cyclic bis(ethylene acetal)
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 39833-28-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-22-9-10-24(27-11-12-28-24)15-17(22)3-4-18-19-5-6-21(23(19,2)8-7-20(18)22)25(16-26)29-13-14-30-25/h3,6,18-20,26H,4-5,7-16H2,1-2H3/t18-,19-,20-,22-,23-/m0/s1
InChIKey VPUICJQFBIKPKH-CWMMHYCISA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 181.5-183C
Molecular Weight 416.558014
Synonyms PREGNA-5,16-DIENE-3,20-DIONE, 21-HYDROXY-, CYCLIC BIS/ETHYLENE ACETAL/
Technique KBr WAFER