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3Alpha,17,21-trihydroxy-5beta-pregnan-20-one, 21-acetate

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

3Alpha,17,21-trihydroxy-5beta-pregnan-20-one, 21-acetate
SpectraBase Compound ID 7xToqvhg45Y
InChI InChI=1S/C23H36O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-19,25,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey HFKAIASGHCYYRR-NAWQHOSSSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7X6yVzXwPbF
Name 3α,17,21-trihydroxy-5β-pregnan-20-one, 21-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-19,25,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey HFKAIASGHCYYRR-NAWQHOSSSA-N
Melting Point 221-223C
Molecular Weight 392.54
Technique KBr WAFER