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

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3α,20α-dihydroxy-11-oxo-5β-pregnan-21-oic acid, 20-acetate
SpectraBase Compound ID FZUU657SoDD
InChI InChI=1S/C23H34O6/c1-12(24)29-20(21(27)28)17-7-6-16-15-5-4-13-10-14(25)8-9-22(13,2)19(15)18(26)11-23(16,17)3/h13-17,19-20,25H,4-11H2,1-3H3,(H,27,28)/t13-,14-,15+,16+,17-,19-,20-,22+,23+/m1/s1
InChIKey JJBBKHYCTNVDLR-CDPWZWHFSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H34O6
Exact Mass 406.235539 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID L0aIpDo9b84
Name 3α,20α-dihydroxy-11-oxo-5β-pregnan-21-oic acid, 20-acetate
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 C23H34O6
InChI InChI=1S/C23H34O6/c1-12(24)29-20(21(27)28)17-7-6-16-15-5-4-13-10-14(25)8-9-22(13,2)19(15)18(26)11-23(16,17)3/h13-17,19-20,25H,4-11H2,1-3H3,(H,27,28)/t13-,14-,15+,16+,17-,19-,20-,22+,23+/m1/s1
InChIKey JJBBKHYCTNVDLR-CDPWZWHFSA-N
Literature Reference J. ORG. CHEM. 28, 1779(1963) Abstract-Chemical Abstracts= 59, 3985(1963)
Melting Point 261-263C
Molecular Weight 406.519012
Synonyms 5B-PREGNAN-21-OIC ACID, 3A,20A-DI- HYDROXY-11-OXO-, 20-ACETATE
Technique KBr WAFER