| SpectraBase Compound ID | sVD5wgrgYd |
|---|---|
| InChI | InChI=1S/C20H26O7/c1-3-23-14-10-13-15(19(25-14)24-4-2)20(11-21)17(27-20)16(13)26-18(22)12-8-6-5-7-9-12/h5-9,13-17,19,21H,3-4,10-11H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1 |
| InChIKey | KJQRDIZLSTWYOX-VZNPGGIZSA-N |
| Mol Weight | 378.42 g/mol |
| Molecular Formula | C20H26O7 |
| Exact Mass | 378.167853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v3BFaVWPJc |
|---|---|
| Name | SPECIONIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26O7 |
| InChI | InChI=1S/C20H26O7/c1-3-23-14-10-13-15(19(25-14)24-4-2)20(11-21)17(27-20)16(13)26-18(22)12-8-6-5-7-9-12/h5-9,13-17,19,21H,3-4,10-11H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1 |
| InChIKey | KJQRDIZLSTWYOX-VZNPGGIZSA-N |
| Literature Reference Author | T.MOROTA,H.SASAKI,K.SUGAMA,H.NISHIMURA,M.CHIN,H.MITSUHASHI |
| Literature Reference Citation | PHYTOCHEM.,29,523(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85110-2 |
| Molecular Weight | 378.422 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI25047 |