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

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

3Alpha,17,21-trihydroxy-5beta-pregnan-20-one, 3-acetate
SpectraBase Compound ID FItnxMt9MFK
InChI InChI=1S/C23H36O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-19,24,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey AMWUVEPYCFALOA-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 KLzZqe7Q6Oj
Name 3α,17,21-trihydroxy-5β-pregnan-20-one, 3-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(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-19,24,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey AMWUVEPYCFALOA-NAWQHOSSSA-N
Melting Point 194-195.5C
Molecular Weight 392.54
Technique KBr WAFER