| SpectraBase Compound ID | ISSrWtfTs38 |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(29)14-18(26)15-23(25)32-17(2)28/h16,18-23,25,29H,6-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,23-,25+,26+,27-/m1/s1 |
| InChIKey | PMJBQFRZSVOFFB-OSFGXRAKSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6nF0ZzEQ7o |
|---|---|
| Name | 3α,7α-dihydroxy-5β-cholan-24-oic acid, methyl ester, 7-acetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(29)14-18(26)15-23(25)32-17(2)28/h16,18-23,25,29H,6-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,23-,25+,26+,27-/m1/s1 |
| InChIKey | PMJBQFRZSVOFFB-OSFGXRAKSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 26715M |
| Solvent | CDCl3 |