| SpectraBase Compound ID | Bi2L7bGnD40 |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,23+,24+,25-/m1/s1 |
| InChIKey | ZNRVRJLOYAQJBW-QIGXKWAMSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1zf1eeUKbw |
|---|---|
| Name | 3,7,12-Trioxo-5β-cholan-24-oic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,23+,24+,25-/m1/s1 |
| InChIKey | ZNRVRJLOYAQJBW-QIGXKWAMSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52962M |
| Solvent | CDCl3 |