| SpectraBase Compound ID | 5frypSRfIkD |
|---|---|
| InChI | InChI=1S/C36H52O4/c1-23(2)7-6-8-24(3)30-14-15-31-29-13-11-26-21-28(17-19-35(26,4)32(29)18-20-36(30,31)5)40-34(39)16-10-25-9-12-27(37)22-33(25)38/h9-12,16,22-24,28-32,37-38H,6-8,13-15,17-21H2,1-5H3/b16-10+/t24-,28?,29?,30-,31?,32?,35+,36-/m1/s1 |
| InChIKey | MTVUZQZGHDFSDF-YJYPMPAKSA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C36H52O4 |
| Exact Mass | 548.38656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BFZDkqVzdeD |
|---|---|
| Name | Cholesteryl - 2,4-Dihydroxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(2,4-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)30-14-15-31-29-13-11-26-21-28(17-19-35(26,4)32(29)18-20-36(30,31)5)40-34(39)16-10-25-9-12-27(37)22-33(25)38/h9-12,16,22-24,28-32,37-38H,6-8,13-15,17-21H2,1-5H3/b16-10+/t24-,28?,29?,30-,31?,32?,35+,36-/m1/s1 |
| InChIKey | MTVUZQZGHDFSDF-YJYPMPAKSA-N |
| Molecular Weight | 548.808 g/mol |
| SMILES | Oc1ccc(c(c1)O)\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 | splash10-0wnj-2339000000-41806a043dc99f98882f |
| Source of Spectrum | X2-58-283-9 |
| Wiley ID | 1605829 |