| SpectraBase Compound ID | 5yz3BFinHSa |
|---|---|
| InChI | InChI=1S/C25H32O5S/c1-17-5-10-20(11-6-17)31(27,28)30-16-25(3)22-12-8-18-7-9-19(29-4)15-21(18)24(22,2)14-13-23(25)26/h5-7,9-11,15,22-23,26H,8,12-14,16H2,1-4H3/t22?,23-,24+,25+/m0/s1 |
| InChIKey | HXEZXNAJXSATJY-VACMWMKWSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C25H32O5S |
| Exact Mass | 444.197045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8y0jd9WA8ER |
|---|---|
| Name | 12-Methoxyabieta-8,11,13-triene-3.beta.ol - 19-Tosylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32O5S |
| InChI | InChI=1S/C25H32O5S/c1-17-5-10-20(11-6-17)31(27,28)30-16-25(3)22-12-8-18-7-9-19(29-4)15-21(18)24(22,2)14-13-23(25)26/h5-7,9-11,15,22-23,26H,8,12-14,16H2,1-4H3/t22?,23-,24+,25+/m0/s1 |
| InChIKey | HXEZXNAJXSATJY-VACMWMKWSA-N |
| Molecular Weight | 444.586 g/mol |
| SMILES | O[C@@]1([C@](COS(c2ccc(cc2)C)(=O)=O)(C2[C@](c3cc(OC)ccc3CC2)(C)CC1)C)[H] |
| SPLASH | splash10-0006-8090200000-05ff28ce55f88ce31e3f |
| Source of Spectrum | X2-56-470-27 |
| Wiley ID | 1604843 |