| SpectraBase Compound ID | JPPdn6VqSzi |
|---|---|
| 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-ZAXPUSGHSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1v550Hs3Odc |
|---|---|
| Name | Ursodeoxycholic acid |
| Source of Sample | Spectrum Chemical Manufacturing Corp. |
| Catalog Number | U1304 |
| Lot Number | WT3077 |
| CAS Registry Number | 128-13-2 |
| Cell Type | NMR tube |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 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-ZAXPUSGHSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power | 597 mW |
| Raman Laser Source | Nd:YAG |
| SMILES | OC(CC[C@](C1[C@@]2(C(C3[C@](CC4C[C@@](CC[C@@]4(C3CC2)C)(O)[H])(O)[H])CC1)C)(C)[H])=O |
| Scans Performed | 3008 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Ursodiol |
| Technique | FT-Raman |