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3-BETA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
SpectraBase Compound ID 9jbpzoRhaT8
InChI InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22-,24+,25-/m1/s1
InChIKey ZHUOOEGSSFNTNP-PLQQDRFXSA-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 2uMyHC3sJ4k
Name 3-BETA,12-BETA-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(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19-,20+,21+,22-,24+,25-/m1/s1
InChIKey ZHUOOEGSSFNTNP-PLQQDRFXSA-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 UNIW6772