| SpectraBase Compound ID | 7U8tOlZJMnY |
|---|---|
| InChI | InChI=1S/C21H35NO2.CH2O2/c1-5-16(2)14-17(3)8-6-7-9-21(24)20(22-4)15-18-10-12-19(23)13-11-18;2-1-3/h6,8,10-13,16-17,20-24H,5,7,9,14-15H2,1-4H3;1H,(H,2,3)/b8-6+;/t16-,17+,20+,21-;/m1./s1 |
| InChIKey | IIQALWUFLWAFNQ-MLJGLOMUSA-N |
| Mol Weight | 379.5 g/mol |
| Molecular Formula | C22H37NO4 |
| Exact Mass | 379.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRIzeJOQox5 |
|---|---|
| Name | TYROSCHERIN_FORMATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H37NO4 |
| InChI | InChI=1S/C21H35NO2.CH2O2/c1-5-16(2)14-17(3)8-6-7-9-21(24)20(22-4)15-18-10-12-19(23)13-11-18;2-1-3/h6,8,10-13,16-17,20-24H,5,7,9,14-15H2,1-4H3;1H,(H,2,3)/b8-6+;/t16-,17+,20+,21-;/m1./s1 |
| InChIKey | IIQALWUFLWAFNQ-MLJGLOMUSA-N |
| Literature Reference Author | C.NIRMA,V.EPARVIER,D.STIEN |
| Literature Reference Citation | J.NAT.PROD.,76,988(2013) |
| Literature Reference DOI | 10.1021/np4001703 |
| Molecular Weight | 379.540 g/mol |
| Sample ID | 42557 |
| Solvent | CD3OD |