| SpectraBase Compound ID | 8Q1LIx5wX2C |
|---|---|
| InChI | InChI=1S/C37H47F3O4/c1-26-18-21-32-34(3,4)22-13-23-35(32,5)31(26)20-19-29(25-43-24-28-14-9-7-10-15-28)27(2)44-33(41)36(42-6,37(38,39)40)30-16-11-8-12-17-30/h7-12,14-17,19,27,31-32H,1,13,18,20-25H2,2-6H3/b29-19+/t27-,31-,32?,35+,36-/m0/s1 |
| InChIKey | ITRMFSVSYHAPDG-YQSBKLSRSA-N |
| Mol Weight | 612.8 g/mol |
| Molecular Formula | C37H47F3O4 |
| Exact Mass | 612.342644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtPSyURpls3 |
|---|---|
| Name | R(-)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETYLCHLORIDE-LABDA-8(17),12-DIEN |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H47F3O4 |
| InChI | InChI=1S/C37H47F3O4/c1-26-18-21-32-34(3,4)22-13-23-35(32,5)31(26)20-19-29(25-43-24-28-14-9-7-10-15-28)27(2)44-33(41)36(42-6,37(38,39)40)30-16-11-8-12-17-30/h7-12,14-17,19,27,31-32H,1,13,18,20-25H2,2-6H3/b29-19+/t27-,31-,32?,35+,36-/m0/s1 |
| InChIKey | ITRMFSVSYHAPDG-YQSBKLSRSA-N |
| Literature Reference Author | L.K.SY,G.D.BROWN |
| Literature Reference Citation | PHYTOCHEM.,49,1741(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00298-2 |
| Molecular Weight | 612.773 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU668 |