| SpectraBase Compound ID | 90ZYRdSWnzT |
|---|---|
| InChI | InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1 |
| InChIKey | DKPMWHFRUGMUKF-KWXDGCAGSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C24H40O5 |
| Exact Mass | 408.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FHhnQBP9ge3 |
|---|---|
| Name | Hyocholic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.287574383 u |
| Formula | C24H40O5 |
| InChI | InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1 |
| InChIKey | DKPMWHFRUGMUKF-KWXDGCAGSA-N |
| Molecular Weight | 408.579 g/mol |
| SMILES | C(=O)(O)CC[C@@](C)([C@]1(CC[C@@]2([C@]1(C)CC[C@@]1([C@@]3(C)CC[C@@](O)(C[C@]3([C@]([C@@](O)([C@@]21[H])[H])(O)[H])[H])[H])[H])[H])[H])[H] |