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3α,11β,20β-trihydroxy-5β-pregnan-21-oic acid, methyl ester

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

3α,11β,20β-trihydroxy-5β-pregnan-21-oic acid, methyl ester
SpectraBase Compound ID 7LPPOrWp7sr
InChI InChI=1S/C22H36O5/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/h12-19,23-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22+/m1/s1
InChIKey OBUKYNCNXLYTFD-HTOMHKGFSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6Ujaf9o9Lr6
Name 3α,11β,20β-trihydroxy-5β-pregnan-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 C22H36O5
InChI InChI=1S/C22H36O5/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/h12-19,23-25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22+/m1/s1
InChIKey OBUKYNCNXLYTFD-HTOMHKGFSA-N
Melting Point 186-188C
Molecular Weight 380.53
Technique KBr WAFER