| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6mAFbCEA90B |
|---|---|
| Name | Cholesteryl - 3-Methoxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(3-methoxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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\c2cc(OC)ccc2)=O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-014i-1429000000-f5747f4d54f36e45005d |
| Source of Spectrum | X2-58-282-7 |
| Wiley ID | 1605831 |