| SpectraBase Compound ID | 2kviqX1eJux |
|---|---|
| InChI | InChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m0/s1 |
| InChIKey | NXIHCVXNQGOJKR-WKPJRIPMSA-N |
| Mol Weight | 628.6 g/mol |
| Molecular Formula | C31H36N2O12 |
| Exact Mass | 628.226825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6i21GwXculS |
|---|---|
| Name | COUMABIOCIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36N2O12 |
| InChI | InChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m0/s1 |
| InChIKey | NXIHCVXNQGOJKR-WKPJRIPMSA-N |
| Literature Reference Author | S.CHEENPRACHA,N.B.VIDOR,W.Y.YOSHIDA,J.DAVIES,L.C.CHANG |
| Literature Reference Citation | J.NAT.PROD.,73,880(2010) |
| Literature Reference DOI | 10.1021/np900843b |
| Molecular Weight | 628.633 g/mol |
| Sample ID | 35503 |
| Solvent | CD3OD |