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3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
SpectraBase Compound ID 5MOtkjOF8t6
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey GRQROVWZGGDYSW-ZQMFMVRBSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeYlrAFU36O
Name 3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
InChIKey GRQROVWZGGDYSW-ZQMFMVRBSA-N
Literature Reference Author T.IIDA,T.TAMURA,T.MATSUMOTO,F.C.CHANG
Literature Reference Citation ORG.MAGN.RES.,21,305(1983)
Literature Reference DOI 10.1002/omr.1270210504
Molecular Weight 406.606 g/mol
Solvent CDCl3
Source File Reference UNIW6452