| SpectraBase Compound ID | LkkrFLUsdmy |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-5-29-22(26)15-23(27)30-17-20-7-6-8-21-24(3,13-10-19-11-14-28-16-19)18(2)9-12-25(20,21)4/h7,11,14,16,18,21H,5-6,8-10,12-13,15,17H2,1-4H3/t18-,21-,24+,25+/m1/s1 |
| InChIKey | BBVMQJIDBJNEFS-YNGFEMSNSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ejrppkc1UBU |
|---|---|
| Name | BACCHALINEOL-18-O-MALONATE-ETHYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-5-29-22(26)15-23(27)30-17-20-7-6-8-21-24(3,13-10-19-11-14-28-16-19)18(2)9-12-25(20,21)4/h7,11,14,16,18,21H,5-6,8-10,12-13,15,17H2,1-4H3/t18-,21-,24+,25+/m1/s1 |
| InChIKey | BBVMQJIDBJNEFS-YNGFEMSNSA-N |
| Literature Reference Author | C.LABBE,M.CASTILLO,M.HERNANDEZ |
| Literature Reference Citation | PHYTOCHEM.,30,1607(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84217-G |
| Molecular Weight | 416.558 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS26090 |