| SpectraBase Compound ID | 6PTwXkwHWGZ |
|---|---|
| InChI | InChI=1S/C32H42N2O9/c1-16(35)33-21-9-7-6-8-18(21)28(37)43-29-11-10-25(41-4)31-23(29)13-20(26(31)34(15-29)17(2)36)30(38)14-22(40-3)19-12-24(31)32(30,39)27(19)42-5/h6-9,19-20,22-27,38-39H,10-15H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29+,30+,31+,32+/m1/s1 |
| InChIKey | FXRAGCCWNPHMPR-PRAPBJKESA-N |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C32H42N2O9 |
| Exact Mass | 598.289031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DortsL6VA87 |
|---|---|
| Name | N-DEETHYL-N-ACETYL-LAPPACONITINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42N2O9 |
| InChI | InChI=1S/C32H42N2O9/c1-16(35)33-21-9-7-6-8-18(21)28(37)43-29-11-10-25(41-4)31-23(29)13-20(26(31)34(15-29)17(2)36)30(38)14-22(40-3)19-12-24(31)32(30,39)27(19)42-5/h6-9,19-20,22-27,38-39H,10-15H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29+,30+,31+,32+/m1/s1 |
| InChIKey | FXRAGCCWNPHMPR-PRAPBJKESA-N |
| Literature Reference Author | J.L.WANG,X.L.SHEN,Q.H.CHEN,G.QI,W.WANG,G.QI,W.WANG,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,801(2009) |
| Literature Reference DOI | 10.1248/cpb.57.801 |
| Molecular Weight | 598.693 g/mol |
| Sample ID | 2810 |
| Solvent | CDCl3 |