| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVhiqGkfjoZ |
|---|---|
| Name | 12-Methoxy-13-isopropylabieta-8,11,13-triene-3.beta.ol - 19-tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.243995493 u |
| 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 | C(OS(C=1C=CC(=CC1)C)(=O)=O)[C@@]1(C2[C@](C=3C=C(OC)C(=CC3CC2)C(C)C)(C)CC[C@@]1(O)[H])C |