| SpectraBase Compound ID | 2CfomaCBjpz |
|---|---|
| InChI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m0/s1 |
| InChIKey | ODBRNZZJSYPIDI-UBFQGWSASA-N |
| Mol Weight | 448.38 g/mol |
| Molecular Formula | C21H20O11 |
| Exact Mass | 448.100561 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HS4HROEraou |
|---|---|
| Name | ISO-ORIENTIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H20O11 |
| InChI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m0/s1 |
| InChIKey | ODBRNZZJSYPIDI-UBFQGWSASA-N |
| Literature Reference Author | S.G.LEITAO,F.D.MONACHE |
| Literature Reference Citation | PHYTOCHEM.,49,2167(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00416-6 |
| Molecular Weight | 448.383 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU957 |