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Cholan-24-oic acid, 12-hydroxy-, methyl ester, (5.beta.,12.alpha.)-

View entire compound with spectra: 2 NMR, and 3 MS (GC)

Cholan-24-oic acid, 12-hydroxy-, methyl ester, (5.beta.,12.alpha.)-
SpectraBase Compound ID KSC18i9E9Vt
InChI InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3
InChIKey FKEDTKXWEOKYFM-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWhmH8AqfnA
Name 12b-Hydroxy-5b-cholanic acid, methyl ester
CAS Registry Number 28050-18-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3
InChIKey FKEDTKXWEOKYFM-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference T. Iida, T. Tamura, T. Matsumoto, Org. Magn. Resonance 21, 305 (1983).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3