| SpectraBase Compound ID | 3134lOoUcSz |
|---|---|
| InChI | InChI=1S/C36H52N2O9/c1-8-38-17-33(18-47-31(40)20-11-9-10-12-23(20)37-30(39)19(2)3)14-13-25(44-5)35-22-15-21-24(43-4)16-34(41,26(22)27(21)45-6)36(42,32(35)38)29(46-7)28(33)35/h9-12,19,21-22,24-29,32,41-42H,8,13-18H2,1-7H3,(H,37,39)/t21-,22?,24+,25+,26?,27+,28-,29+,32?,33+,34-,35+,36?/m1/s1 |
| InChIKey | BNJLERZAAWSXOD-ZZPKOMTQSA-N |
| Mol Weight | 656.8 g/mol |
| Molecular Formula | C36H52N2O9 |
| Exact Mass | 656.367281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64LiZg7YIL |
|---|---|
| Name | DELAJACIRINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52N2O9 |
| InChI | InChI=1S/C36H52N2O9/c1-8-38-17-33(18-47-31(40)20-11-9-10-12-23(20)37-30(39)19(2)3)14-13-25(44-5)35-22-15-21-24(43-4)16-34(41,26(22)27(21)45-6)36(42,32(35)38)29(46-7)28(33)35/h9-12,19,21-22,24-29,32,41-42H,8,13-18H2,1-7H3,(H,37,39)/t21-,22?,24+,25+,26?,27+,28-,29+,32?,33+,34-,35+,36?/m1/s1 |
| InChIKey | BNJLERZAAWSXOD-ZZPKOMTQSA-N |
| Literature Reference Author | J.LU,H.K.DESAI,S.A.ROSS,H.M.SAYED,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,56,2098(1993) |
| Literature Reference DOI | 10.1021/np50102a011 |
| Molecular Weight | 656.817 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15609 |