| SpectraBase Compound ID | 8nsePeoPcCi |
|---|---|
| InChI | InChI=1S/C27H38O3S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-30-31(28,29)23-11-7-20(3)8-12-23/h7-8,11-12,17,19,25H,6,9-10,13-16,18H2,1-5H3/t25?,26-,27+/m0/s1 |
| InChIKey | JDJJLNUCPWNDOG-GDRMZMBQSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C27H38O3S |
| Exact Mass | 442.254166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hw1h2p2AefQ |
|---|---|
| Name | Palustradien-18-yl p-toluenesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O3S |
| InChI | InChI=1S/C27H38O3S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-30-31(28,29)23-11-7-20(3)8-12-23/h7-8,11-12,17,19,25H,6,9-10,13-16,18H2,1-5H3/t25?,26-,27+/m0/s1 |
| InChIKey | JDJJLNUCPWNDOG-GDRMZMBQSA-N |
| Molecular Weight | 442.658 g/mol |
| SMILES | C(OS(c1ccc(cc1)C)(=O)=O)[C@]1(C2[C@](C=3CCC(=CC3CC2)C(C)C)(C)CCC1)C |
| SPLASH | splash10-0a4l-4390200000-3d9cbd47fd60dbda0f15 |
| Source of Spectrum | KC-57-6164-3 |
| Wiley ID | 1625059 |