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3α,17,20α-trihydroxy-5β-pregnan-21-oic acid, methyl ester

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

3α,17,20α-trihydroxy-5β-pregnan-21-oic acid, methyl ester
SpectraBase Compound ID GAjViri7VUc
InChI InChI=1S/C22H36O5/c1-20-9-6-14(23)12-13(20)4-5-15-16(20)7-10-21(2)17(15)8-11-22(21,26)18(24)19(25)27-3/h13-18,23-24,26H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,20+,21+,22+/m1/s1
InChIKey WKNCIKWCZRYOLS-VPJACRNYSA-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 5hqS7VDcCie
Name 3α,17,20α-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/c1-20-9-6-14(23)12-13(20)4-5-15-16(20)7-10-21(2)17(15)8-11-22(21,26)18(24)19(25)27-3/h13-18,23-24,26H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,20+,21+,22+/m1/s1
InChIKey WKNCIKWCZRYOLS-VPJACRNYSA-N
Melting Point 87.5-90C
Molecular Weight 380.53
Technique KBr WAFER