| SpectraBase Compound ID | JxItGiEC7gH |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h19,21-26,31H,7-18H2,1-6H3/t19-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1 |
| InChIKey | JKKYDIZVQGOJLZ-HKPRBTTRSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 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 | 9JWNM5QEKDk |
|---|---|
| Name | 25-Hydroxy-5.alpha.-cholestan-3.beta.-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.375995467 u |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h19,21-26,31H,7-18H2,1-6H3/t19-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1 |
| InChIKey | JKKYDIZVQGOJLZ-HKPRBTTRSA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](CCCC(O)(C)C)(C)[H])[H])C |