| SpectraBase Compound ID | LWT45r9urTW |
|---|---|
| InChI | InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1 |
| InChIKey | YVPYMQHYESYLIR-CERQHTHQSA-N |
| Mol Weight | 689.8 g/mol |
| Molecular Formula | C36H51NO12 |
| Exact Mass | 689.341126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ecx7m7rKd8B |
|---|---|
| Name | PSEUDACONITINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H51NO12 |
| InChI | InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1 |
| InChIKey | YVPYMQHYESYLIR-CERQHTHQSA-N |
| Literature Reference Author | K.S.KHETWAL,B.S.JOSHI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | HETEROCYCLES,34,441(1992) |
| Literature Reference DOI | 10.3987/COM-91-5949 |
| Molecular Weight | 689.800 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3239 |