| SpectraBase Compound ID | H7NFwaXIhAj |
|---|---|
| InChI | InChI=1S/C31H36N2O12/c1-13-17(41-28-22(36)24(43-29(32)39)25(40-6)31(4,5)45-28)10-8-16-21(35)20(27(38)42-23(13)16)33-26(37)14-7-9-18-15(11-14)12-19(34)30(2,3)44-18/h7-11,19,22,24-25,28,34-36H,12H2,1-6H3,(H2,32,39)(H,33,37)/t19?,22-,24-,25-,28-/m0/s1 |
| InChIKey | VIANIJJKWWIRQS-LCVOGNGDSA-N |
| Mol Weight | 628.6 g/mol |
| Molecular Formula | C31H36N2O12 |
| Exact Mass | 628.226825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3iB1CRCRGWG |
|---|---|
| Name | COUMABIOCIN_D |
| Compound Number | 4 |
| 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(41-28-22(36)24(43-29(32)39)25(40-6)31(4,5)45-28)10-8-16-21(35)20(27(38)42-23(13)16)33-26(37)14-7-9-18-15(11-14)12-19(34)30(2,3)44-18/h7-11,19,22,24-25,28,34-36H,12H2,1-6H3,(H2,32,39)(H,33,37)/t19?,22-,24-,25-,28-/m0/s1 |
| InChIKey | VIANIJJKWWIRQS-LCVOGNGDSA-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 | 35502 |
| Solvent | CD3OD |