| SpectraBase Compound ID | CMtvWg4Y02t |
|---|---|
| InChI | InChI=1S/C22H28N2O6/c1-14(5-11-19(25)23-18(22(29)30)10-12-20(26)27)13-15(2)21(28)16-6-8-17(9-7-16)24(3)4/h5-9,11,13,15,18H,10,12H2,1-4H3,(H,23,25)(H,26,27)(H,29,30)/b11-5+,14-13+/t15-,18+/m1/s1 |
| InChIKey | MROXIWXRMZGHLJ-DFYRDPISSA-N |
| Mol Weight | 416.47 g/mol |
| Molecular Formula | C22H28N2O6 |
| Exact Mass | 416.194737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17J8tJCmghr |
|---|---|
| Name | JBIR-109 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28N2O6 |
| InChI | InChI=1S/C22H28N2O6/c1-14(5-11-19(25)23-18(22(29)30)10-12-20(26)27)13-15(2)21(28)16-6-8-17(9-7-16)24(3)4/h5-9,11,13,15,18H,10,12H2,1-4H3,(H,23,25)(H,26,27)(H,29,30)/b11-5+,14-13+/t15-,18+/m1/s1 |
| InChIKey | MROXIWXRMZGHLJ-DFYRDPISSA-N |
| Literature Reference Author | T.HOSOYA,T.HIROKAWA,M.TAKAGI,K.SHIN-YA |
| Literature Reference Citation | J.NAT.PROD.,75,285(2012) |
| Literature Reference DOI | 10.1021/np200843k |
| Molecular Weight | 416.474 g/mol |
| Sample ID | 40085 |
| Solvent | CD3OD |