| SpectraBase Compound ID | GsCUBULDDBD |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4yzI9DsXxyd |
|---|---|
| Name | Ursodeoxycholic acid |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 128-13-2 |
| Comments | Some carbon atoms are unassigned; Tentative assignment |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H40O4 |
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| Molecular Weight | 392.58 |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |