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

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3α,20β-dihydroxy-11-oxo-5β-pregnan-21-oic acid, methyl ester
SpectraBase Compound ID 9p75UxSrMZy
InChI InChI=1S/C22H34O5/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/h12-16,18-19,23,25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,18-,19+,21+,22+/m1/s1
InChIKey ZPFUUTIZGOTKAL-QJHGGAOBSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3ISIFeQUYel
Name 3α,20β-dihydroxy-11-oxo-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 C22H34O5
InChI InChI=1S/C22H34O5/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/h12-16,18-19,23,25H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,18-,19+,21+,22+/m1/s1
InChIKey ZPFUUTIZGOTKAL-QJHGGAOBSA-N
Literature Reference J. ORG. CHEM. 28, 1779(1963) Abstract-Chemical Abstracts= 59, 3985(1963)
Melting Point 176-177C
Molecular Weight 378.509003
Synonyms 5B-PREGNAN-21-OIC ACID, 3A,20B-DI- HYDROXY-11-OXO-, METHYL ESTER
Technique KBr WAFER