| SpectraBase Compound ID | 1lKO4jujBKL |
|---|---|
| InChI | InChI=1S/C39H58O5/c1-25(2)10-9-11-26(3)31-15-16-32-30-14-13-28-24-29(18-20-38(28,4)33(30)19-21-39(31,32)5)44-36(40)17-12-27-22-34(41-6)37(43-8)35(23-27)42-7/h12-13,17,22-23,25-26,29-33H,9-11,14-16,18-21,24H2,1-8H3/b17-12+/t26-,29?,30?,31-,32?,33?,38+,39-/m1/s1 |
| InChIKey | OYQHDHXTZWRTEX-SJMQDZHISA-N |
| Mol Weight | 606.9 g/mol |
| Molecular Formula | C39H58O5 |
| Exact Mass | 606.428425 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ZBN4A9rYts |
|---|---|
| Name | Cholesteryl - 3,4,5-Trimethoxy-cinnamate |
| Alternate Name(s) | Cholest-5-en-3-yl (2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H58O5 |
| InChI | InChI=1S/C39H58O5/c1-25(2)10-9-11-26(3)31-15-16-32-30-14-13-28-24-29(18-20-38(28,4)33(30)19-21-39(31,32)5)44-36(40)17-12-27-22-34(41-6)37(43-8)35(23-27)42-7/h12-13,17,22-23,25-26,29-33H,9-11,14-16,18-21,24H2,1-8H3/b17-12+/t26-,29?,30?,31-,32?,33?,38+,39-/m1/s1 |
| InChIKey | OYQHDHXTZWRTEX-SJMQDZHISA-N |
| Molecular Weight | 606.888 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC(\C=C\c2cc(OC)c(c(c2)OC)OC)=O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH | splash10-000i-1192000000-5bff4aff7cd572721210 |
| Source of Spectrum | X2-58-283-16 |
| Wiley ID | 1605822 |