| SpectraBase Compound ID | CmAdgK4sYns |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 |
| InChIKey | XHQVLSIVZIPGLE-KXKMLXBFSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9juq9jK7Xu |
|---|---|
| Name | 3alpha-hydroxy-12-oxo-5beta-cholan-24-oic acid, methyl ester, acetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 |
| InChIKey | XHQVLSIVZIPGLE-KXKMLXBFSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52947M |
| Solvent | CDCl3 |