| SpectraBase Compound ID | FqQkWX6aGnN |
|---|---|
| InChI | InChI=1S/C38H53NO11/c1-7-9-11-16-25(41)50-38-26-22(18-36(44,33(48-6)31(38)42)32(26)49-34(43)21-14-12-10-13-15-21)37-24(46-4)17-23(40)35(20-45-3)19-39(8-2)30(37)27(38)28(47-5)29(35)37/h9-15,22-24,26-33,40,42,44H,7-8,16-20H2,1-6H3/b11-9+/t22?,23-,24+,26?,27?,28+,29?,30?,31+,32-,33+,35+,36-,37+,38-/m1/s1 |
| InChIKey | KAJLTFUQEZFKBL-XAXXHOLPSA-N |
| Mol Weight | 699.8 g/mol |
| Molecular Formula | C38H53NO11 |
| Exact Mass | 699.361862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HQR7Wfipjh |
|---|---|
| Name | BrACHYACONITINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H53NO11 |
| InChI | InChI=1S/C38H53NO11/c1-7-9-11-16-25(41)50-38-26-22(18-36(44,33(48-6)31(38)42)32(26)49-34(43)21-14-12-10-13-15-21)37-24(46-4)17-23(40)35(20-45-3)19-39(8-2)30(37)27(38)28(47-5)29(35)37/h9-15,22-24,26-33,40,42,44H,7-8,16-20H2,1-6H3/b11-9+/t22?,23-,24+,26?,27?,28+,29?,30?,31+,32-,33+,35+,36-,37+,38-/m1/s1 |
| InChIKey | KAJLTFUQEZFKBL-XAXXHOLPSA-N |
| Literature Reference Author | H.LIU,A.KATZ |
| Literature Reference Citation | J.NAT.PROD.,59,135(1996) |
| Literature Reference DOI | 10.1021/np960047r |
| Molecular Weight | 699.839 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2575 |