| SpectraBase Compound ID | JpP4Wa8Vg9l |
|---|---|
| InChI | InChI=1S/C36H42N2O9/c1-22(16-19-39)32(40)37-17-8-9-18-38-33(41)31-29(23-10-6-5-7-11-23)35(43)30-27(46-4)20-26(45-3)21-28(30)47-36(31,34(35)42)24-12-14-25(44-2)15-13-24/h5-7,10-16,20-21,29,31,34,39,42-43H,8-9,17-19H2,1-4H3,(H,37,40)(H,38,41)/b22-16+/t29-,31+,34+,35-,36+/m0/s1 |
| InChIKey | ZPZIOXSKRNWLQT-QBMUMBBPSA-N |
| Mol Weight | 646.7 g/mol |
| Molecular Formula | C36H42N2O9 |
| Exact Mass | 646.289031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELI45WCvA6J |
|---|---|
| Name | PERVIRIDISIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42N2O9 |
| InChI | InChI=1S/C36H42N2O9/c1-22(16-19-39)32(40)37-17-8-9-18-38-33(41)31-29(23-10-6-5-7-11-23)35(43)30-27(46-4)20-26(45-3)21-28(30)47-36(31,34(35)42)24-12-14-25(44-2)15-13-24/h5-7,10-16,20-21,29,31,34,39,42-43H,8-9,17-19H2,1-4H3,(H,37,40)(H,38,41)/b22-16+/t29-,31+,34+,35-,36+/m0/s1 |
| InChIKey | ZPZIOXSKRNWLQT-QBMUMBBPSA-N |
| Literature Reference Author | L.PAN,U.M.ACUNA,J.LI,N.JENA,T.N.NINH,C.M.PANNELL,H.CHAI,J.R. FUCHS,E.J.C.DEBLANCO |
| Literature Reference Citation | J.NAT.PROD.,76,394(2013) |
| Literature Reference DOI | 10.1021/np3007588 |
| Molecular Weight | 646.737 g/mol |
| Sample ID | 42286 |
| Solvent | CDCl3 |