| SpectraBase Compound ID | ALkkJmGWrzl |
|---|---|
| InChI | InChI=1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28?,29?,30-,31?,32?,35+,36-/m1/s1 |
| InChIKey | JPTUJXPTFCNGAF-QAHDIPBXSA-N |
| Mol Weight | 532.8 g/mol |
| Molecular Formula | C36H52O3 |
| Exact Mass | 532.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7p58osf8iR6 |
|---|---|
| Name | Cholesteryl - 2-Hydroxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(2-hydroxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O3 |
| InChI | InChI=1S/C36H52O3/c1-24(2)9-8-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-35(27,4)32(29)20-22-36(30,31)5)39-34(38)18-13-26-11-6-7-12-33(26)37/h6-7,11-14,18,24-25,28-32,37H,8-10,15-17,19-23H2,1-5H3/b18-13+/t25-,28?,29?,30-,31?,32?,35+,36-/m1/s1 |
| InChIKey | JPTUJXPTFCNGAF-QAHDIPBXSA-N |
| Molecular Weight | 532.809 g/mol |
| SMILES | Oc1c(\C=C\C(OC2CC[C@@]3(C4CC[C@]5(C(C4CC=C3C2)CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])C)C)=O)cccc1 |
| SPLASH | splash10-014j-2339000000-1de7a3c9e817ed908975 |
| Source of Spectrum | X2-58-282-4 |
| Wiley ID | 1605834 |