| SpectraBase Compound ID | 2gFmeqRUkkn |
|---|---|
| InChI | InChI=1S/C32H33N3O5/c1-21(2)30-28(34-26(36)18-15-22-9-5-3-6-10-22)32(39)35-27(29(37)24-11-7-4-8-12-24)31(38)33-20-19-23-13-16-25(40-30)17-14-23/h3-21,27-30,37H,1-2H3,(H,33,38)(H,34,36)(H,35,39)/b18-15+,20-19-/t27-,28-,29+,30-/m0/s1 |
| InChIKey | JQCPNMVQVYXZII-SUCRJHGHSA-N |
| Mol Weight | 539.6 g/mol |
| Molecular Formula | C32H33N3O5 |
| Exact Mass | 539.242021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCWHAF43QzB |
|---|---|
| Name | DISCARINE-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H33N3O5 |
| InChI | InChI=1S/C32H33N3O5/c1-21(2)30-28(34-26(36)18-15-22-9-5-3-6-10-22)32(39)35-27(29(37)24-11-7-4-8-12-24)31(38)33-20-19-23-13-16-25(40-30)17-14-23/h3-21,27-30,37H,1-2H3,(H,33,38)(H,34,36)(H,35,39)/b18-15+,20-19-/t27-,28-,29+,30-/m0/s1 |
| InChIKey | JQCPNMVQVYXZII-SUCRJHGHSA-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 | 539.631 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN31252 |