| SpectraBase Compound ID | 9xG9zSvJwuh |
|---|---|
| InChI | InChI=1S/C31H36N2O11/c1-14-18(40-28-22(35)24(42-29(32)38)25(39-6)31(4,5)44-28)10-8-17-21(34)20(27(37)41-23(14)17)33-26(36)16-7-9-19-15(13-16)11-12-30(2,3)43-19/h7-10,13,22,24-25,28,34-35H,11-12H2,1-6H3,(H2,32,38)(H,33,36)/t22-,24+,25-,28-/m1/s1 |
| InChIKey | XHPKFSICBQUAKE-BOFKSZNZSA-N |
| Mol Weight | 612.6 g/mol |
| Molecular Formula | C31H36N2O11 |
| Exact Mass | 612.23191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNIqAuMrbyj |
|---|---|
| Name | COUMABIOCIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36N2O11 |
| InChI | InChI=1S/C31H36N2O11/c1-14-18(40-28-22(35)24(42-29(32)38)25(39-6)31(4,5)44-28)10-8-17-21(34)20(27(37)41-23(14)17)33-26(36)16-7-9-19-15(13-16)11-12-30(2,3)43-19/h7-10,13,22,24-25,28,34-35H,11-12H2,1-6H3,(H2,32,38)(H,33,36)/t22-,24+,25-,28-/m1/s1 |
| InChIKey | XHPKFSICBQUAKE-BOFKSZNZSA-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 | 612.634 g/mol |
| Sample ID | 35501 |
| Solvent | CD3OD |