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20β,21-dihydroxy-5β-pregnan-3-one, cyclic carbonate

View entire compound with spectra: 1 NMR, and 2 FTIR

20β,21-dihydroxy-5β-pregnan-3-one, cyclic carbonate
SpectraBase Compound ID 6oSL1iJyW6v
InChI InChI=1S/C22H32O4/c1-21-9-7-14(23)11-13(21)3-4-15-16-5-6-18(19-12-25-20(24)26-19)22(16,2)10-8-17(15)21/h13,15-19H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,19-,21+,22+/m1/s1
InChIKey AHEBWQYTFFYUBQ-BEPVLQJTSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID J3qPPjgcc4S
Name 20β,21-dihydroxy-5β-pregnan-3-one, cyclic carbonate
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 C22H32O4
InChI InChI=1S/C22H32O4/c1-21-9-7-14(23)11-13(21)3-4-15-16-5-6-18(19-12-25-20(24)26-19)22(16,2)10-8-17(15)21/h13,15-19H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,19-,21+,22+/m1/s1
InChIKey AHEBWQYTFFYUBQ-BEPVLQJTSA-N
Melting Point 197-199C
Molecular Weight 360.493988
Synonyms 5B-PREGNAN-3-ONE, 20B,21-DIHYDROXY-, CYCLIC CARBONATE
Technique KBr WAFER