| SpectraBase Compound ID | BwNGjngZyvC |
|---|---|
| InChI | InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25+,27?,28+,29?,30+,33+,34+,35-,36+,37-/m1/s1 |
| InChIKey | XLTANAWLDBYGFU-MSJGWVELSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C37H50N2O10 |
| Exact Mass | 682.346546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xS9UJ8NmPN |
|---|---|
| Name | METHYLLYCACONITINE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H50N2O10 |
| InChI | InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25+,27?,28+,29?,30+,33+,34+,35-,36+,37-/m1/s1 |
| InChIKey | XLTANAWLDBYGFU-MSJGWVELSA-N |
| Literature Reference Author | Y.Z.CHEN,A.WU |
| Literature Reference Citation | PHYTOCHEM.,29,1016(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80077-T |
| Molecular Weight | 682.811 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN29535 |