| SpectraBase Compound ID | AozaiAsOpr4 |
|---|---|
| InChI | InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1 |
| InChIKey | FKJIJBSJQSMPTI-CAOXKPNISA-M |
| Mol Weight | 424.51276928 g/mol |
| Molecular Formula | C24H33NaO5 |
| Exact Mass | 424.222568 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnYO0z6Vaje |
|---|---|
| Name | 3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H33NaO5 |
| InChI | InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1 |
| InChIKey | FKJIJBSJQSMPTI-CAOXKPNISA-M |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 23102M |
| Solvent | D2O |