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21-Hydroxypregn-5-ene-3,20-dione, cyclic bis(ethylene acetal), carbonate (2:1)

View entire compound with spectra: 1 FTIR

21-Hydroxypregn-5-ene-3,20-dione, cyclic bis(ethylene acetal), carbonate (2:1)
SpectraBase Compound ID 3Ineykm6JA1
InChI InChI=1S/C51H74O11/c1-44-17-19-48(55-21-22-56-48)29-33(44)5-7-35-37-9-11-41(46(37,3)15-13-39(35)44)50(59-25-26-60-50)31-53-43(52)54-32-51(61-27-28-62-51)42-12-10-38-36-8-6-34-30-49(57-23-24-58-49)20-18-45(34,2)40(36)14-16-47(38,42)4/h5-6,35-42H,7-32H2,1-4H3/t35-,36-,37-,38-,39-,40-,41-,42-,44-,45-,46-,47-/m0/s1
InChIKey HFASDHWSYFJIFK-SHDYBSHKSA-N
Mol Weight 863.1 g/mol
Molecular Formula C51H74O11
Exact Mass 862.523113 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8iWKrcg4fps
Name 21-Hydroxypregn-5-ene-3,20-dione, cyclic bis(ethylene acetal), carbonate (2:1)
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 C51H74O11
InChI InChI=1S/C51H74O11/c1-44-17-19-48(55-21-22-56-48)29-33(44)5-7-35-37-9-11-41(46(37,3)15-13-39(35)44)50(59-25-26-60-50)31-53-43(52)54-32-51(61-27-28-62-51)42-12-10-38-36-8-6-34-30-49(57-23-24-58-49)20-18-45(34,2)40(36)14-16-47(38,42)4/h5-6,35-42H,7-32H2,1-4H3/t35-,36-,37-,38-,39-,40-,41-,42-,44-,45-,46-,47-/m0/s1
InChIKey HFASDHWSYFJIFK-SHDYBSHKSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 253-254C
Molecular Weight 863.142029
Synonyms PREGN-5-ENE-3,20-DIONE, 21-HYDROXY-, CYCLIC BIS/ETHYLENE ACETAL/, CARBONATE /2 TO 1/
Technique KBr WAFER