| SpectraBase Compound ID | 3WqrmXOsIGQ |
|---|---|
| InChI | InChI=1S/C34H44N4O12/c1-4-5-6-8-12-15-23(40)46-20(2)14-11-9-7-10-13-16-24(41)49-29-21(3)47-34(28(44)27(29)43)50-30-26(42)22(17-39)48-33(30)38-19-37-25-31(38)35-18-36-32(25)45/h6-8,10-16,18-22,26-30,33-34,39,42-44H,4-5,9,17H2,1-3H3,(H,35,36,45)/b8-6+,10-7+,14-11-,15-12+,16-13+/t20?,21-,22+,26+,27-,28-,29+,30+,33+,34-/m1/s1 |
| InChIKey | KZAQVIOGOYWYER-FLNUJDGXSA-N |
| Mol Weight | 700.7 g/mol |
| Molecular Formula | C34H44N4O12 |
| Exact Mass | 700.295573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcQGcBHAwjm |
|---|---|
| Name | SHIMOFURIDIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44N4O12 |
| InChI | InChI=1S/C34H44N4O12/c1-4-5-6-8-12-15-23(40)46-20(2)14-11-9-7-10-13-16-24(41)49-29-21(3)47-34(28(44)27(29)43)50-30-26(42)22(17-39)48-33(30)38-19-37-25-31(38)35-18-36-32(25)45/h6-8,10-16,18-22,26-30,33-34,39,42-44H,4-5,9,17H2,1-3H3,(H,35,36,45)/b8-6+,10-7+,14-11-,15-12+,16-13+/t20?,21-,22+,26+,27-,28-,29+,30+,33+,34-/m1/s1 |
| InChIKey | KZAQVIOGOYWYER-FLNUJDGXSA-N |
| Literature Reference Author | J.KOBAYASHI,Y.DOI,M.ISHIBASHI |
| Literature Reference Citation | J.ORG.CHEM.,59,255(1994) |
| Literature Reference DOI | 10.1021/jo00080a046 |
| Molecular Weight | 700.743 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ1601 |