![3-Methyl-7-methoxy-5-ethenyl-2-((S/R)-MTPAoxy-3-methoxyphenyl)benzo[b]furan](/api/spectrum/2rD0Ye6W3SR/structure.png?h=300&w=458 "3-Methyl-7-methoxy-5-ethenyl-2-((S/R)-MTPAoxy-3-methoxyphenyl)benzo[b]furan")
| SpectraBase Compound ID | 4826KtsLOuj |
|---|---|
| InChI | InChI=1S/C30H29F3O6/c1-5-7-18-13-22-17(2)27(39-28(22)25(14-18)37-4)21-10-11-23(24(15-21)36-3)38-16-19-8-6-9-20(12-19)26(29(34)35)30(31,32)33/h5-15,17,26-27H,16H2,1-4H3,(H,34,35)/b7-5+/t17-,26?,27?/m1/s1 |
| InChIKey | WLDUNGHXKRJJTC-QZOYEEBLSA-N |
| Mol Weight | 542.55 g/mol |
| Molecular Formula | C30H29F3O6 |
| Exact Mass | 542.191623 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2rD0Ye6W3SR |
|---|---|
| Name | 3-Methyl-7-methoxy-5-ethenyl-2-((S/R)-MTPAoxy-3-methoxyphenyl)benzo[b]furan |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H29F3O6 |
| InChI | InChI=1S/C30H29F3O6/c1-5-7-18-13-22-17(2)27(39-28(22)25(14-18)37-4)21-10-11-23(24(15-21)36-3)38-16-19-8-6-9-20(12-19)26(29(34)35)30(31,32)33/h5-15,17,26-27H,16H2,1-4H3,(H,34,35)/b7-5+/t17-,26?,27?/m1/s1 |
| InChIKey | WLDUNGHXKRJJTC-QZOYEEBLSA-N |
| Molecular Weight | 542.551 g/mol |
| SMILES | OC(C(c1cc(COc2c(cc(C3Oc4c([C@]3(C)[H])cc(cc4OC)\C=C\C)cc2)OC)ccc1)C(F)(F)F)=O |
| SPLASH | splash10-000i-0901010000-4ac54b7a4906ff55c6aa |
| Source of Spectrum | F-56-9189-13 |
| Wiley ID | 859211 |