| SpectraBase Compound ID | LGAZrx15MP5 |
|---|---|
| InChI | InChI=1S/C21H26O5/c1-20-9-7-15-19(23)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)18(22)24-3/h5,8,10,12,15-17H,4,6-7,9,11H2,1-3H3/t15-,16-,17-,20-,21-/m0/s1 |
| InChIKey | CCRPRTUMLVVFRR-RNEDXHKXSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C21H26O5 |
| Exact Mass | 358.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMwirCXCNzW |
|---|---|
| Name | 12-EPI-METHYL-BARBASCOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26O5 |
| InChI | InChI=1S/C21H26O5/c1-20-9-7-15-19(23)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)18(22)24-3/h5,8,10,12,15-17H,4,6-7,9,11H2,1-3H3/t15-,16-,17-,20-,21-/m0/s1 |
| InChIKey | CCRPRTUMLVVFRR-RNEDXHKXSA-N |
| Literature Reference Author | M.T.L.P.PERES,M.G.PIZZOLATTI,R.A.YUNES,F.D.MONACHE |
| Literature Reference Citation | PHYTOCHEM.,49,171(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00873-X |
| Molecular Weight | 358.434 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU50 |