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20α-hydroxy-3-oxopregn-4-en-21-oic acid, methyl ester, acetate

View entire compound with spectra: 1 FTIR

20α-hydroxy-3-oxopregn-4-en-21-oic acid, methyl ester, acetate
SpectraBase Compound ID BNtNA7PfSbA
InChI InChI=1S/C24H34O5/c1-14(25)29-21(22(27)28-4)20-8-7-18-17-6-5-15-13-16(26)9-11-23(15,2)19(17)10-12-24(18,20)3/h13,17-21H,5-12H2,1-4H3/t17-,18-,19-,20+,21+,23-,24-/m0/s1
InChIKey OJGZUIJUMKZIGJ-CJUIHMTJSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Dp8ffCQd8e0
Name 20α-hydroxy-3-oxopregn-4-en-21-oic acid, methyl ester, 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 C24H34O5
InChI InChI=1S/C24H34O5/c1-14(25)29-21(22(27)28-4)20-8-7-18-17-6-5-15-13-16(26)9-11-23(15,2)19(17)10-12-24(18,20)3/h13,17-21H,5-12H2,1-4H3/t17-,18-,19-,20+,21+,23-,24-/m0/s1
InChIKey OJGZUIJUMKZIGJ-CJUIHMTJSA-N
Literature Reference J. ORG. CHEM. 29, 2559(1964) Abstract-Chemical Abstracts= 61, 10739(1964)
Melting Point 86-89C
Molecular Weight 402.531006
Synonyms PREGN-4-EN-21-OIC ACID, 20A-HYDROXY-3-OXO-, METHYL ESTER, ACETATE
Technique FILM (CAST FROM CHCl3)