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

View entire compound with spectra: 2 FTIR

3α,20β,-dihydroxy-5β-pregnan-21-oic acid, methyl ester
SpectraBase Compound ID FGhKrKlvP6a
InChI InChI=1S/C22H36O4/c1-21-10-8-14(23)12-13(21)4-5-15-16-6-7-18(19(24)20(25)26-3)22(16,2)11-9-17(15)21/h13-19,23-24H,4-12H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,21+,22+/m1/s1
InChIKey KQHIYFWUGNGURE-RHHSAXHKSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8tn27TJe9EE
Name 3α,20β,-dihydroxy-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 C22H36O4
InChI InChI=1S/C22H36O4/c1-21-10-8-14(23)12-13(21)4-5-15-16-6-7-18(19(24)20(25)26-3)22(16,2)11-9-17(15)21/h13-19,23-24H,4-12H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,21+,22+/m1/s1
InChIKey KQHIYFWUGNGURE-RHHSAXHKSA-N
Melting Point 180-191C
Molecular Weight 364.53
Technique FILM (CAST FROM CHCl3)