| SpectraBase Compound ID | JvkmxFRVrv5 |
|---|---|
| InChI | InChI=1S/C26H37N3O4/c1-16(2)7-12-22(30)29-23-24(18(5)6)33-20-10-8-19(9-11-20)13-14-27-25(31)21(15-17(3)4)28-26(23)32/h7-14,16-18,21,23-24H,15H2,1-6H3,(H,27,31)(H,28,32)(H,29,30)/b12-7+,14-13-/t21-,23-,24-/m0/s1 |
| InChIKey | JATPORNSZHDYDX-IVMUYMPISA-N |
| Mol Weight | 455.6 g/mol |
| Molecular Formula | C26H37N3O4 |
| Exact Mass | 455.278407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uF6h1WboO8 |
|---|---|
| Name | DISCARINE-M |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37N3O4 |
| InChI | InChI=1S/C26H37N3O4/c1-16(2)7-12-22(30)29-23-24(18(5)6)33-20-10-8-19(9-11-20)13-14-27-25(31)21(15-17(3)4)28-26(23)32/h7-14,16-18,21,23-24H,15H2,1-6H3,(H,27,31)(H,28,32)(H,29,30)/b12-7+,14-13-/t21-,23-,24-/m0/s1 |
| InChIKey | JATPORNSZHDYDX-IVMUYMPISA-N |
| Literature Reference Author | S.R.GIACOMELLI,G.MALDANER,W.A.GONZAGA,C.M.GARCIA,U.F.D.SILVA ,I.I.DALCOL,A.F.MORE |
| Literature Reference Citation | PHYTOCHEM.,65,933(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.02.006 |
| Molecular Weight | 455.597 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN31251 |