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5.beta.-Cholanic acid, 3-hydroxy-, (3.alpha.,5.beta.)

View entire compound with spectra: 5 NMR, and 2 MS (GC)

5.beta.-Cholanic acid, 3-hydroxy-, (3.alpha.,5.beta.)
SpectraBase Compound ID Ap6nWnaVhqq
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
InChIKey SMEROWZSTRWXGI-UHFFFAOYSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23BiCeDTF7h
Name 3a-Hydroxy-5b,14a,17b-cholanic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
InChIKey SMEROWZSTRWXGI-UHFFFAOYSA-N
Instrument Name Bruker AM-300
Literature Reference P.E. Hammann, H. Kluge, G.G. Habermehl, Magn. Res. Chem. 29, 133 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3