| SpectraBase Compound ID | Ib5UcTP4S7w |
|---|---|
| InChI | InChI=1S/C38H54O3/c1-7-28(25(2)3)12-8-26(4)33-17-18-34-32-16-13-29-24-31(20-22-37(29,5)35(32)21-23-38(33,34)6)41-36(40)19-11-27-9-14-30(39)15-10-27/h8-15,19,25-26,28,31-35,39H,7,16-18,20-24H2,1-6H3/b12-8+,19-11+/t26?,28?,31-,32?,33?,34?,35?,37-,38+/m0/s1 |
| InChIKey | IEOXWLGFXWIKHG-FZPSWAADSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C38H54O3 |
| Exact Mass | 558.407296 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 66kkYeTaten |
|---|---|
| Name | Stigmasteryl p-hydroxycinnamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H54O3 |
| InChI | InChI=1S/C38H54O3/c1-7-28(25(2)3)12-8-26(4)33-17-18-34-32-16-13-29-24-31(20-22-37(29,5)35(32)21-23-38(33,34)6)41-36(40)19-11-27-9-14-30(39)15-10-27/h8-15,19,25-26,28,31-35,39H,7,16-18,20-24H2,1-6H3/b12-8+,19-11+/t26?,28?,31-,32?,33?,34?,35?,37-,38+/m0/s1 |
| InChIKey | IEOXWLGFXWIKHG-FZPSWAADSA-N |
| Molecular Weight | 558.847 g/mol |
| SMILES | Oc1ccc(\C=C\C(O[C@]2(CC[C@@]3(C4CC[C@]5(C(C4CC=C3C2)CCC5C(\C=C\C(C(C)C)CC)C)C)C)[H])=O)cc1 |
| SPLASH | splash10-0a4l-9221000000-6b91af4ae233cfb3409a |
| Source of Spectrum | Y1-37-193-2 |
| Wiley ID | 1527338 |