| SpectraBase Compound ID | Gla8Bo3ocOQ |
|---|---|
| InChI | InChI=1S/C37H54O4/c1-24(2)9-7-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-36(27,4)32(29)20-22-37(30,31)5)41-34(38)18-13-26-11-8-12-33(40-6)35(26)39/h8,11-14,18,24-25,28-32,39H,7,9-10,15-17,19-23H2,1-6H3/b18-13+/t25-,28?,29?,30-,31?,32?,36+,37-/m1/s1 |
| InChIKey | JTYQMNAHHZQBND-DJQISXMUSA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C37H54O4 |
| Exact Mass | 562.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8PkzvQYkso2 |
|---|---|
| Name | Cholesteryl - 2-Hydroxy-3-methoxycinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(2-hydroxy-3-methoxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H54O4 |
| InChI | InChI=1S/C37H54O4/c1-24(2)9-7-10-25(3)30-16-17-31-29-15-14-27-23-28(19-21-36(27,4)32(29)20-22-37(30,31)5)41-34(38)18-13-26-11-8-12-33(40-6)35(26)39/h8,11-14,18,24-25,28-32,39H,7,9-10,15-17,19-23H2,1-6H3/b18-13+/t25-,28?,29?,30-,31?,32?,36+,37-/m1/s1 |
| InChIKey | JTYQMNAHHZQBND-DJQISXMUSA-N |
| Molecular Weight | 562.835 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)cccc1OC |
| SPLASH | splash10-014i-1429000000-afb0a40f670a48e399e8 |
| Source of Spectrum | X2-58-283-13 |
| Wiley ID | 1605825 |