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11β,20α-dihydroxy-3-oxopregn-4-en-21-oic acid, methyl ester

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

11β,20α-dihydroxy-3-oxopregn-4-en-21-oic acid, methyl ester
SpectraBase Compound ID GN5J0enR0Ex
InChI InChI=1S/C22H32O5/c1-21-9-8-13(23)10-12(21)4-5-14-15-6-7-16(19(25)20(26)27-3)22(15,2)11-17(24)18(14)21/h10,14-19,24-25H,4-9,11H2,1-3H3/t14-,15-,16+,17-,18+,19+,21-,22-/m0/s1
InChIKey FWPMUUIZMFLVRH-HEUOUAJXSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AhQ3tnthGBp
Name 11β,20α-dihydroxy-3-oxopregn-4-en-21-oic acid, methyl ester
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 C22H32O5
InChI InChI=1S/C22H32O5/c1-21-9-8-13(23)10-12(21)4-5-14-15-6-7-16(19(25)20(26)27-3)22(15,2)11-17(24)18(14)21/h10,14-19,24-25H,4-9,11H2,1-3H3/t14-,15-,16+,17-,18+,19+,21-,22-/m0/s1
InChIKey FWPMUUIZMFLVRH-HEUOUAJXSA-N
Melting Point 181.5-183C
Molecular Weight 376.50
Technique KBr WAFER