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20β,21-dihydroxypregna-5,16-dien-3-one, cyclic ethylene acetal, 21-(ethyl carbonate)
SpectraBase Compound ID 23ZAEWz0lmj
InChI InChI=1S/C26H38O6/c1-4-29-23(28)30-16-22(27)21-8-7-19-18-6-5-17-15-26(31-13-14-32-26)12-11-24(17,2)20(18)9-10-25(19,21)3/h5,8,18-20,22,27H,4,6-7,9-16H2,1-3H3/t18-,19-,20-,22+,24-,25-/m0/s1
InChIKey YYEHXXXVWFRIGH-CMDJPLBESA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BZnQO5UUiqF
Name 20β,21-dihydroxypregna-5,16-dien-3-one, cyclic ethylene acetal, 21-(ethyl carbonate)
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 39703-43-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-4-29-23(28)30-16-22(27)21-8-7-19-18-6-5-17-15-26(31-13-14-32-26)12-11-24(17,2)20(18)9-10-25(19,21)3/h5,8,18-20,22,27H,4,6-7,9-16H2,1-3H3/t18-,19-,20-,22+,24-,25-/m0/s1
InChIKey YYEHXXXVWFRIGH-CMDJPLBESA-N
Literature Reference J. ORG. CHEM. 38, 2335(1973) Abstract-Chemical Abstracts= 79, 42738(1973)
Melting Point 163.5-165C
Molecular Weight 446.584015
Synonyms PREGNA-5,16-DIEN-3-ONE, 20B,21-DI- HYDROXY-, CYCLIC ETHYLENE ACETAL, 21-/ETHYL CARBONATE/
Technique KBr WAFER