SpectraBase Compound ID | JLToasDXCk1 |
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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-GFBFXQRSSA-N |
Mol Weight | 499.6 g/mol |
Molecular Formula | C25H41NO9 |
Exact Mass | 499.278132 g/mol |
SpectraBase Spectrum ID | 7UQj8XV2nk3 |
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Name | ACONINE |
Compound Number | 13 |
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-GFBFXQRSSA-N |
Literature Reference Author | J.B.HANUMAN,A.KATZ |
Literature Reference Citation | PHYTOCHEM.,36,1527(1994) |
Literature Reference DOI | 10.1016/S0031-9422(00)89756-3 |
Molecular Weight | 499.602 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU26472 |