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7a,12a-Dihydroxy-5b-cholanic acid, methyl ester

View entire compound with spectra: 4 NMR

7a,12a-Dihydroxy-5b-cholanic acid, methyl ester
SpectraBase Compound ID 3oYtnOjjOTA
InChI InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3
InChIKey XPMSMFOWYBQWHS-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpCpPRVi2dw
Name 7b,12b-Dihydroxy-5b-cholanic acid, methyl ester
CAS Registry Number 84895-27-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3
InChIKey XPMSMFOWYBQWHS-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