| SpectraBase Compound ID | 2EWnSYxDwzl |
|---|---|
| InChI | InChI=1S/C37H54O3/c1-25(2)9-7-10-26(3)32-16-17-33-31-15-14-28-24-30(19-21-36(28,4)34(31)20-22-37(32,33)5)40-35(38)18-13-27-11-8-12-29(23-27)39-6/h8,11-14,18,23,25-26,30-34H,7,9-10,15-17,19-22,24H2,1-6H3/b18-13+/t26-,30?,31?,32-,33?,34?,36+,37-/m1/s1 |
| InChIKey | LPUMIIYUJOKMML-MAWUKPSOSA-N |
| Mol Weight | 546.8 g/mol |
| Molecular Formula | C37H54O3 |
| Exact Mass | 546.407296 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 | 7RanQBq2q3l |
|---|---|
| Name | Cholesteryl - 3-methoxycinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.407295596 u |
| Formula | C37H54O3 |
| InChI | InChI=1S/C37H54O3/c1-25(2)9-7-10-26(3)32-16-17-33-31-15-14-28-24-30(19-21-36(28,4)34(31)20-22-37(32,33)5)40-35(38)18-13-27-11-8-12-29(23-27)39-6/h8,11-14,18,23,25-26,30-34H,7,9-10,15-17,19-22,24H2,1-6H3/b18-13+/t26-,30?,31?,32-,33?,34?,36+,37-/m1/s1 |
| InChIKey | LPUMIIYUJOKMML-MAWUKPSOSA-N |
| Molecular Weight | 546.836 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC(\C=C\C=2C=C(OC)C=CC2)=O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |