| SpectraBase Compound ID | LPkO2jQJXcz |
|---|---|
| InChI | InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3/t17-,21-/m0/s1 |
| InChIKey | FZFGGNNUYSILSL-UWJYYQICSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C21H22O4 |
| Exact Mass | 338.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bgai1T1t5j |
|---|---|
| Name | ORIENTANOL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O4 |
| InChI | InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3/t17-,21-/m0/s1 |
| InChIKey | FZFGGNNUYSILSL-UWJYYQICSA-N |
| Literature Reference Author | H.TANAKA,T.TANAKA,H.ETOH |
| Literature Reference Citation | PHYTOCHEM.,47,475(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00596-7 |
| Molecular Weight | 338.403 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS209 |