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20α-hydroxy-3-oxo-pregn-4-en-21-oic acid, acetate

View entire compound with spectra: 2 FTIR

20α-hydroxy-3-oxo-pregn-4-en-21-oic acid, acetate
SpectraBase Compound ID 3BaKIM1jNXh
InChI InChI=1S/C23H32O5/c1-13(24)28-20(21(26)27)19-7-6-17-16-5-4-14-12-15(25)8-10-22(14,2)18(16)9-11-23(17,19)3/h12,16-20H,4-11H2,1-3H3,(H,26,27)/t16-,17-,18-,19+,20+,22-,23-/m0/s1
InChIKey PIYGOJYBUCJHJT-UMDFJOQQSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DAPVQfFY7Ij
Name 20α-hydroxy-3-oxo-pregn-4-en-21-oic acid, 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 C23H32O5
InChI InChI=1S/C23H32O5/c1-13(24)28-20(21(26)27)19-7-6-17-16-5-4-14-12-15(25)8-10-22(14,2)18(16)9-11-23(17,19)3/h12,16-20H,4-11H2,1-3H3,(H,26,27)/t16-,17-,18-,19+,20+,22-,23-/m0/s1
InChIKey PIYGOJYBUCJHJT-UMDFJOQQSA-N
Literature Reference J. ORG. CHEM. 29, 2559(1964) Abstract-Chemical Abstracts= 61, 10739(1964)
Melting Point 184.5-186.5C (dec.)
Molecular Weight 388.503998
Synonyms PREGN-4-EN-21-OIC ACID, 20A-HYDROXY-3-OXO-, ACETATE
Technique KBr WAFER