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11,20-Dioxo-3α-hydroxy-5β-pregnan-21-al, 21-(dimethyl acetal), acetate
SpectraBase Compound ID CfpKCllHpQm
InChI InChI=1S/C25H38O6/c1-14(26)31-16-10-11-24(2)15(12-16)6-7-17-18-8-9-19(22(28)23(29-4)30-5)25(18,3)13-20(27)21(17)24/h15-19,21,23H,6-13H2,1-5H3/t15-,16-,17+,18+,19-,21-,24+,25+/m1/s1
InChIKey YJQVTXNNPCXQGE-UCXWQKGGSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H38O6
Exact Mass 434.266839 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3UcOGAxzFEJ
Name 11,20-Dioxo-3α-hydroxy-5β-pregnan-21-al, 21-(dimethyl 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 C25H38O6
InChI InChI=1S/C25H38O6/c1-14(26)31-16-10-11-24(2)15(12-16)6-7-17-18-8-9-19(22(28)23(29-4)30-5)25(18,3)13-20(27)21(17)24/h15-19,21,23H,6-13H2,1-5H3/t15-,16-,17+,18+,19-,21-,24+,25+/m1/s1
InChIKey YJQVTXNNPCXQGE-UCXWQKGGSA-N
Literature Reference J. ORG. CHEM. 28, 2001(1963) Abstract-Chemical Abstracts= 59, 6474C(1963)
Melting Point 104.5C
Molecular Weight 434.572998
Synonyms 5B-PREGNAN-21-AL, 11,20-DIOXO- 3A-HYDROXY-, 21-/DIMETHYL ACETAL/, ACETATE
Technique KBr WAFER