| SpectraBase Compound ID | I32SV9PiBdU |
|---|---|
| InChI | InChI=1S/C43H52N2O11/c1-6-44-21-40(22-55-38(49)25-14-10-11-15-28(25)45-31(46)18-23(2)36(45)47)17-16-30(53-4)42-27-19-26-29(52-3)20-41(50,43(51,39(42)44)35(54-5)34(40)42)32(27)33(26)56-37(48)24-12-8-7-9-13-24/h7-15,23,26-27,29-30,32-35,39,50-51H,6,16-22H2,1-5H3/t23?,26-,27?,29+,30-,32?,33+,34?,35+,39?,40+,41-,42+,43+/m1/s1 |
| InChIKey | UTXPEZCSRQUREP-FCPVIFBCSA-N |
| Mol Weight | 772.9 g/mol |
| Molecular Formula | C43H52N2O11 |
| Exact Mass | 772.35711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTZmdqToHWk |
|---|---|
| Name | AJACUSINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52N2O11 |
| InChI | InChI=1S/C43H52N2O11/c1-6-44-21-40(22-55-38(49)25-14-10-11-15-28(25)45-31(46)18-23(2)36(45)47)17-16-30(53-4)42-27-19-26-29(52-3)20-41(50,43(51,39(42)44)35(54-5)34(40)42)32(27)33(26)56-37(48)24-12-8-7-9-13-24/h7-15,23,26-27,29-30,32-35,39,50-51H,6,16-22H2,1-5H3/t23?,26-,27?,29+,30-,32?,33+,34?,35+,39?,40+,41-,42+,43+/m1/s1 |
| InChIKey | UTXPEZCSRQUREP-FCPVIFBCSA-N |
| Literature Reference Author | S.W.PELLETIER,R.S.SAWHNEY |
| Literature Reference Citation | HETEROCYCLES,9,463(1978) |
| Literature Reference DOI | 10.3987/R-1978-04-0463 |
| Molecular Weight | 772.893 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW20918 |