| SpectraBase Compound ID | FtHtGHc0Llg |
|---|---|
| InChI | InChI=1S/C36H54O3S/c1-8-27(24(2)3)12-11-26(5)32-17-18-33-31-16-13-28-23-29(39-40(37,38)30-14-9-25(4)10-15-30)19-21-35(28,6)34(31)20-22-36(32,33)7/h9-15,24,26-27,29,31-34H,8,16-23H2,1-7H3/b12-11+/t26-,27+,29?,31+,32-,33+,34+,35+,36-/m1/s1 |
| InChIKey | ZTXJEKUSJCAIBH-ARHYPQNCSA-N |
| Mol Weight | 566.9 g/mol |
| Molecular Formula | C36H54O3S |
| Exact Mass | 566.379367 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IptToCOCTNX |
|---|---|
| Name | Stigmasteryl tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.379366770 u |
| Formula | C36H54O3S |
| InChI | InChI=1S/C36H54O3S/c1-8-27(24(2)3)12-11-26(5)32-17-18-33-31-16-13-28-23-29(39-40(37,38)30-14-9-25(4)10-15-30)19-21-35(28,6)34(31)20-22-36(32,33)7/h9-15,24,26-27,29,31-34H,8,16-23H2,1-7H3/b12-11+/t26-,27+,29?,31+,32-,33+,34+,35+,36-/m1/s1 |
| InChIKey | ZTXJEKUSJCAIBH-ARHYPQNCSA-N |
| Molecular Weight | 566.885 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](\C=C\[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])C)[H])[H])C)OS(C1=CC=C(C=C1)C)(=O)=O |