| SpectraBase Compound ID | 6SzHA2eZB3C |
|---|---|
| InChI | InChI=1S/C22H28O5/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)15(12)10-14-16(24)9-13(11-23)19(26)20(14)27/h9,15,17,23,27H,1,5-8,10-11H2,2-4H3/t15-,17-,22+/m0/s1 |
| InChIKey | QMIRFTXAKMDLAF-GIMINZRKSA-N |
| Mol Weight | 372.46 g/mol |
| Molecular Formula | C22H28O5 |
| Exact Mass | 372.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOGMUTWtZfG |
|---|---|
| Name | 3-KETOTAURANIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O5 |
| InChI | InChI=1S/C22H28O5/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)15(12)10-14-16(24)9-13(11-23)19(26)20(14)27/h9,15,17,23,27H,1,5-8,10-11H2,2-4H3/t15-,17-,22+/m0/s1 |
| InChIKey | QMIRFTXAKMDLAF-GIMINZRKSA-N |
| Literature Reference Author | E.M.K.WIJERATNE,P.A.PARANAGAMA,M.T.MARRON,M.K.GUNATILAKA,A.E .ARNOLD,A.A.L.GUNATI |
| Literature Reference Citation | J.NAT.PROD.,71,218(2008) |
| Literature Reference DOI | 10.1021/np070600c |
| Molecular Weight | 372.461 g/mol |
| Sample ID | 27418 |
| Solvent | CDCl3 |