| SpectraBase Compound ID | CWbh8BMlptB |
|---|---|
| InChI | InChI=1S/C36H52O3/c1-24(2)8-6-9-25(3)31-15-16-32-30-14-13-27-23-29(18-20-35(27,4)33(30)19-21-36(31,32)5)39-34(38)17-12-26-10-7-11-28(37)22-26/h7,10-13,17,22,24-25,29-33,37H,6,8-9,14-16,18-21,23H2,1-5H3/b17-12+/t25-,29?,30?,31-,32?,33?,35+,36-/m1/s1 |
| InChIKey | VVUASJHUUGKYLX-KYNFEUFYSA-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 | 3Qt2XzFIf7z |
|---|---|
| Name | Cholesteryl - 3-Hydroxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(3-hydroxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O3 |
| InChI | InChI=1S/C36H52O3/c1-24(2)8-6-9-25(3)31-15-16-32-30-14-13-27-23-29(18-20-35(27,4)33(30)19-21-36(31,32)5)39-34(38)17-12-26-10-7-11-28(37)22-26/h7,10-13,17,22,24-25,29-33,37H,6,8-9,14-16,18-21,23H2,1-5H3/b17-12+/t25-,29?,30?,31-,32?,33?,35+,36-/m1/s1 |
| InChIKey | VVUASJHUUGKYLX-KYNFEUFYSA-N |
| Molecular Weight | 532.809 g/mol |
| SMILES | Oc1cc(\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)ccc1 |
| SPLASH | splash10-014j-2329000000-357d8b562f01c61c04b1 |
| Source of Spectrum | X2-58-282-5 |
| Wiley ID | 1605833 |