| SpectraBase Compound ID | 5fdkgZ6U81z |
|---|---|
| InChI | InChI=1S/C31H36N2O12/c1-13-17(42-28-22(35)24(44-29(32)38)25(40-6)31(4,5)45-28)10-8-16-21(34)20(27(37)43-23(13)16)33-26(36)14-7-9-18-15(11-14)12-19(41-18)30(2,3)39/h7-11,19,22,24-25,28,34-35,39H,12H2,1-6H3,(H2,32,38)(H,33,36)/t19?,22-,24+,25-,28-/m1/s1 |
| InChIKey | QABCYUIASODPGV-AMAVTPQFSA-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 | BX2A7zt7thK |
|---|---|
| Name | COUMABIOCIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36N2O12 |
| InChI | InChI=1S/C31H36N2O12/c1-13-17(42-28-22(35)24(44-29(32)38)25(40-6)31(4,5)45-28)10-8-16-21(34)20(27(37)43-23(13)16)33-26(36)14-7-9-18-15(11-14)12-19(41-18)30(2,3)39/h7-11,19,22,24-25,28,34-35,39H,12H2,1-6H3,(H2,32,38)(H,33,36)/t19?,22-,24+,25-,28-/m1/s1 |
| InChIKey | QABCYUIASODPGV-AMAVTPQFSA-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 | 35499 |
| Solvent | CD3OD |