| SpectraBase Compound ID | 2yDzNxQT7FR |
|---|---|
| InChI | InChI=1S/C36H52O4/c1-23(2)7-6-8-24(3)29-13-14-30-28-12-11-26-22-27(17-19-35(26,4)31(28)18-20-36(29,30)5)40-34(39)16-10-25-9-15-32(37)33(38)21-25/h9-11,15-16,21,23-24,27-31,37-38H,6-8,12-14,17-20,22H2,1-5H3/b16-10+/t24-,27?,28?,29-,30?,31?,35+,36-/m1/s1 |
| InChIKey | PMDSTZWKTNUEAH-FYXRJTOCSA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C36H52O4 |
| Exact Mass | 548.38656 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ezx4E0xkqB3 |
|---|---|
| Name | Cholesteryl - 3,4-Dihydroxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O4 |
| InChI | InChI=1S/C36H52O4/c1-23(2)7-6-8-24(3)29-13-14-30-28-12-11-26-22-27(17-19-35(26,4)31(28)18-20-36(29,30)5)40-34(39)16-10-25-9-15-32(37)33(38)21-25/h9-11,15-16,21,23-24,27-31,37-38H,6-8,12-14,17-20,22H2,1-5H3/b16-10+/t24-,27?,28?,29-,30?,31?,35+,36-/m1/s1 |
| InChIKey | PMDSTZWKTNUEAH-FYXRJTOCSA-N |
| Molecular Weight | 548.808 g/mol |
| SMILES | Oc1cc(ccc1O)\C=C\C(OC1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C)=O |
| SPLASH | splash10-015a-2339000000-3679370987f82ea716bd |
| Source of Spectrum | X2-58-283-10 |
| Wiley ID | 1605828 |