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7a-Hydroxy-5b-cholanic acid, methyl ester

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7a-Hydroxy-5b-cholanic acid, methyl ester
SpectraBase Compound ID DlQOpMKDcqW
InChI InChI=1S/C25H42O3/c1-16(8-11-22(27)28-4)18-9-10-19-23-20(12-14-25(18,19)3)24(2)13-6-5-7-17(24)15-21(23)26/h16-21,23,26H,5-15H2,1-4H3
InChIKey SLMFZEZJHJUPDN-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FM1g3bkAT1N
Name 7b-Hydroxy-5b-cholanic acid, methyl ester
CAS Registry Number 28050-20-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-16(8-11-22(27)28-4)18-9-10-19-23-20(12-14-25(18,19)3)24(2)13-6-5-7-17(24)15-21(23)26/h16-21,23,26H,5-15H2,1-4H3
InChIKey SLMFZEZJHJUPDN-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