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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 IONHH4NJZcb
Name 5.beta.-Cholanic acid, 3-hydroxy-, (3.alpha.,5.beta.)
CAS Registry Number 434-13-9
Comments D.LEIBFRITZ,J.D.ROBERTS,J.AMER.CHEM
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
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH3OH