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Methyl 7.alpha.-hydroxy-3,3-ethylenedioxy-5.beta.-cholanoate

Compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 7.alpha.-hydroxy-3,3-ethylenedioxy-5.beta.-cholanoate
SpectraBase Compound ID GVGGI6Lf5Pg
InChI InChI=1S/C27H44O5/c1-17(5-8-23(29)30-4)19-6-7-20-24-21(9-10-26(19,20)3)25(2)11-12-27(31-13-14-32-27)16-18(25)15-22(24)28/h17-22,24,28H,5-16H2,1-4H3/t17-,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
InChIKey DXMYOONEGIUYNB-NPJWREJRSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol
Enantiomer InChIKey DXMYOONEGIUYNB-KKOWETEQSA-N

View Spectrum of Methyl 7.alpha.-hydroxy-3,3-ethylenedioxy-5.beta.-cholanoate

13C NMR Spectrum
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View Spectrum of Methyl 7.alpha.-hydroxy-3,3-ethylenedioxy-5.beta.-cholanoate

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-7196-1
  • Methyl (4R)-4-[(1'S,2'S,7'R,9'R,10'R,11'S,14'R,15'R)-9'-hydroxy-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-14'-yl]pentanoate
(5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylpropyl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-7-ol
3.beta.,7.beta.-Dihydroxy-3.alpha.-methyl-5.beta.-cholanoic acid
N-[3.beta.,7.beta.-dihydroxy-3.alpha.-methyl-24-oxo-5.beta.-cholan-24-yl]-benzylamine
N-[3.alpha.,7.beta.-dihydroxy-3.beta.-methyl-24-oxo-5.beta.-cholan-24-yl]-benzylamine
2-amino-3-[[(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-keto-2-methyl-heptyl]thio]propionic acid
(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
[(6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-keto-2-methyl-heptyl] hydrogen sulfate
Taurochenodeoxycholic acid-3-sulfate (TCDCA-3S)-H
DEGRADANT_A
3.beta.-[(T-butyldimethylsilyl)oxy]-26-(pivaloyloxy)cholest-5.alpha.-an-7-ol
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