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

*Links on SpectraBase are not permalinks.

(3a,5b,12A)-3,5,12-Trihydroxy-cholanoic acid

View entire compound with spectra: 1 NMR

(3a,5b,12A)-3,5,12-Trihydroxy-cholanoic acid
SpectraBase Compound ID GjvThMawm78
InChI InChI=1S/C24H40O5/c1-14(4-7-21(27)28)17-5-6-18-16-9-11-24(29)13-15(25)8-10-22(24,2)19(16)12-20(26)23(17,18)3/h14-20,25-26,29H,4-13H2,1-3H3,(H,27,28)
InChIKey IHCPIJYMENVZLU-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H40O5
Exact Mass 408.287574 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 FcRG0W0tuxc
Name (3a,5b,12A)-3,5,12-Trihydroxy-cholanoic acid
CAS Registry Number 58678-36-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H40O5
InChI InChI=1S/C24H40O5/c1-14(4-7-21(27)28)17-5-6-18-16-9-11-24(29)13-15(25)8-10-22(24,2)19(16)12-20(26)23(17,18)3/h14-20,25-26,29H,4-13H2,1-3H3,(H,27,28)
InChIKey IHCPIJYMENVZLU-UHFFFAOYSA-N
Literature Reference R. Popovitz-Biro, C.P. Tang, H.C.Chang, J. Am. Chem. Soc. 107, 4043 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD