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7-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER

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7-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
SpectraBase Compound ID GHaFBvnR1k9
InChI InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey XPMSMFOWYBQWHS-KGFCUSQPSA-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 2v29ayzsDMA
Name 7-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey XPMSMFOWYBQWHS-KGFCUSQPSA-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 UNIW6773