| SpectraBase Compound ID | LP1YnxeJyq1 |
|---|---|
| InChI | InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29?,30?,31?,32-,33?,34?,38+,39-/m1/s1 |
| InChIKey | RAKOKKNCCBUUMP-TZTVDEARSA-N |
| Mol Weight | 592.9 g/mol |
| Molecular Formula | C39H60O4 |
| Exact Mass | 592.44916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CeYX1RUqPs4 |
|---|---|
| Name | Stigmastanyl ferulate |
| Alternate Name(s) | stigmastan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H60O4 |
| InChI | InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29?,30?,31?,32-,33?,34?,38+,39-/m1/s1 |
| InChIKey | RAKOKKNCCBUUMP-TZTVDEARSA-N |
| Molecular Weight | 592.905 g/mol |
| SMILES | Oc1ccc(cc1OC)\C=C\C(OC1CC[C@@]2(C3CC[C@]4(C(C3CCC2C1)CC[C@@]4([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])C)C)=O |
| SPLASH | splash10-0006-1911010000-8c3033e68c894654b00f |
| Source of Spectrum | JC-440-29-0 |
| Wiley ID | 1409545 |