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

View entire compound with spectra: 2 FTIR

3α-hydroxy-5β-pregnan-21-oic acid, methyl ester
SpectraBase Compound ID KBOCfqj16mj
InChI InChI=1S/C22H36O3/c1-21-10-8-16(23)12-14(21)4-6-17-18-7-5-15(13-20(24)25-3)22(18,2)11-9-19(17)21/h14-19,23H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19+,21+,22-/m1/s1
InChIKey UCSNJCLUEXCBAM-IWJYHGGESA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID I50v67OFaSH
Name 3α-hydroxy-5β-pregnan-21-oic acid, methyl ester
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16054-68-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-21-10-8-16(23)12-14(21)4-6-17-18-7-5-15(13-20(24)25-3)22(18,2)11-9-19(17)21/h14-19,23H,4-13H2,1-3H3/t14-,15-,16-,17+,18+,19+,21+,22-/m1/s1
InChIKey UCSNJCLUEXCBAM-IWJYHGGESA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point 117.5-118.5C
Molecular Weight 348.527008
Synonyms 5B-PREGNAN-21-OIC ACID, 3A-HYDROXY-, METHYL ESTER
Technique KBr WAFER