SpectraBase Compound ID | 6Kl7nvk39Fm |
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InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
InChIKey | FDKJNVMJOZNFQP-XCFZJUKMSA-N |
Mol Weight | 430.6 g/mol |
Molecular Formula | C27H42O4 |
Exact Mass | 430.30831 g/mol |
Enantiomer InChIKey | FDKJNVMJOZNFQP-COVOLBBQSA-N |
Copyright | Copyright © 1980, 1981-2021 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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