For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 4 NMR, and 2 MS (GC)

Cholan-24-oic acid, methyl ester, (5.beta.)-
SpectraBase Compound ID B8zYvXrjgDj
InChI InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3
InChIKey YHTRVWPOAJKWBV-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6I8fasxjBOK
Name Methyl 5b-cholan-24-oate
CAS Registry Number 2204-14-0
Comments REASSIGNED BY STOTHERS D.LEIBFRITZ,J.D.ROBERT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3
InChIKey YHTRVWPOAJKWBV-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 CH2Cl2