| SpectraBase Compound ID | 8MPUfRlqnZ2 |
|---|---|
| InChI | InChI=1S/C28H38O5S/c1-18(2)22-15-20-9-12-25-27(4,23(20)16-24(22)32-6)14-13-26(29)28(25,5)17-33-34(30,31)21-10-7-19(3)8-11-21/h7-8,10-11,15-16,18,25-26,29H,9,12-14,17H2,1-6H3/t25?,26-,27+,28+/m0/s1 |
| InChIKey | OEISRRGPALULSR-OXXZQLOYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C28H38O5S |
| Exact Mass | 486.243995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1tqDIQk7Zw |
|---|---|
| Name | 12-Methoxy-13-isopropylabieta-8,11,13-triene-3.beta.ol - 19-Tosylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O5S |
| InChI | InChI=1S/C28H38O5S/c1-18(2)22-15-20-9-12-25-27(4,23(20)16-24(22)32-6)14-13-26(29)28(25,5)17-33-34(30,31)21-10-7-19(3)8-11-21/h7-8,10-11,15-16,18,25-26,29H,9,12-14,17H2,1-6H3/t25?,26-,27+,28+/m0/s1 |
| InChIKey | OEISRRGPALULSR-OXXZQLOYSA-N |
| Molecular Weight | 486.667 g/mol |
| SMILES | O[C@@]1([C@](COS(c2ccc(cc2)C)(=O)=O)(C2[C@](c3cc(OC)c(cc3CC2)C(C)C)(C)CC1)C)[H] |
| SPLASH | splash10-001l-6092100000-1c65777be342e9978a9e |
| Source of Spectrum | X2-56-470-27 |
| Wiley ID | 1604842 |