| SpectraBase Compound ID | G6rDFVxFI3K |
|---|---|
| InChI | InChI=1S/C32H50N2O14/c1-15(2)23(33-11)29(39)47-21(13-43-31(41)25(37)17(5)6)27(45-19(9)35)28(46-20(10)36)22(14-44-32(42)26(38)18(7)8)48-30(40)24(34-12)16(3)4/h11-12,15-18,21-28,37-38H,13-14H2,1-10H3/q+2/t21-,22-,23?,24?,25-,26-,27+,28+/m0/s1 |
| InChIKey | QEMZISDYCJIQGJ-IDGWIQEQSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C32H50N2O14 |
| Exact Mass | 686.326204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjhRzNBF56I |
|---|---|
| Name | BRASSICICOLIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50N2O14 |
| InChI | InChI=1S/C32H50N2O14/c1-15(2)23(33-11)29(39)47-21(13-43-31(41)25(37)17(5)6)27(45-19(9)35)28(46-20(10)36)22(14-44-32(42)26(38)18(7)8)48-30(40)24(34-12)16(3)4/h11-12,15-18,21-28,37-38H,13-14H2,1-10H3/q+2/t21-,22-,23?,24?,25-,26-,27+,28+/m0/s1 |
| InChIKey | QEMZISDYCJIQGJ-IDGWIQEQSA-N |
| Literature Reference Author | M.S.C.PEDRAS,P.B.CHUMALA,W.JIN,M.S.ISLAM,D.W.HAUCK |
| Literature Reference Citation | PHYTOCHEM.,70,394(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.01.005 |
| Molecular Weight | 686.754 g/mol |
| Sample ID | 64567 |
| Solvent | CDCl3 |