| SpectraBase Compound ID | IzNVplea7fB |
|---|---|
| InChI | InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14?,15+,16-,17?,18?,19-,20?,21+,22+,23-,24+,25-/m1/s1 |
| InChIKey | SQMGCPHFHQGPIF-NDBOBPTISA-N |
| Mol Weight | 499.6 g/mol |
| Molecular Formula | C25H41NO9 |
| Exact Mass | 499.278132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1v3o3S9v9YP |
|---|---|
| Name | ACONINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H41NO9 |
| InChI | InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14?,15+,16-,17?,18?,19-,20?,21+,22+,23-,24+,25-/m1/s1 |
| InChIKey | SQMGCPHFHQGPIF-NDBOBPTISA-N |
| Literature Reference Author | S.W.PELLETIER,N.V.MODY,R.S.SAWHNEY |
| Literature Reference Citation | CAN.J.CHEM.,57,1652(1979) |
| Literature Reference DOI | 10.1139/v79-266 |
| Molecular Weight | 499.602 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED2249 |