SpectraBase Compound ID | FX2FTrd7x0e |
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InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6-7,16-22,26H,5,8-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1 |
InChIKey | AERLFIKQPARKAX-ULCLHEGSSA-N |
Mol Weight | 388.6 g/mol |
Molecular Formula | C25H40O3 |
Exact Mass | 388.297745 g/mol |
Enantiomer InChIKey | AERLFIKQPARKAX-PMAAPSTLSA-N |
Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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Source of Sample | T. Iida, Nihon University, Fukushima, Japan J. Goto and T. Nambara, Tohoku University, Sendai, Japan Magn. Reson. Chem. 31, 421(1993) |
Solvent | Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q |
Title | Journal or Book | Year |
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Carbon-13 NMR spectra of bile acid derivatives. Part III. Unsaturated 5β-cholanoic acids | Magnetic Resonance in Chemistry | 1993 |
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