| SpectraBase Compound ID | 1aRArne7J10 |
|---|---|
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(39)20-17-16-18-21-32-28-30(27-29(2)38)37(42)43-32/h14-15,30-36,39-41H,3-13,16-28H2,1-2H3/b15-14-/t30-,31+,32-,33+,34+,35+,36+/m0/s1 |
| InChIKey | LAHISNRJSVBVFU-BUJMACIISA-N |
| Mol Weight | 622.9 g/mol |
| Molecular Formula | C37H66O7 |
| Exact Mass | 622.480854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdnegCTXlu4 |
|---|---|
| Name | 2,4-TRANS-GONIONENINONE |
| Compound Number | 2-TRANS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O7 |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(39)20-17-16-18-21-32-28-30(27-29(2)38)37(42)43-32/h14-15,30-36,39-41H,3-13,16-28H2,1-2H3/b15-14-/t30-,31+,32-,33+,34+,35+,36+/m0/s1 |
| InChIKey | LAHISNRJSVBVFU-BUJMACIISA-N |
| Literature Reference Author | F.Q.ALALI,Y.ZHANG,L.ROGERS,J.L.MCLAUGHLIN |
| Literature Reference Citation | PHYTOCHEM.,49,761(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00922-9 |
| Molecular Weight | 622.927 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU189 |