| SpectraBase Compound ID | 6te3gP9Kg93 |
|---|---|
| InChI | InChI=1S/C30H33NO9/c1-17(32)39-16-22-27(30(36)31-13-12-18-4-8-21(33)9-5-18)29(20-7-11-24(35)26(15-20)38-3)40-28(22)19-6-10-23(34)25(14-19)37-2/h4-11,14-15,22,27-29,33-35H,12-13,16H2,1-3H3,(H,31,36)/t22-,27-,28+,29+/m0/s1 |
| InChIKey | QJCJQOHFWDDBIP-KITINDFRSA-N |
| Mol Weight | 551.6 g/mol |
| Molecular Formula | C30H33NO9 |
| Exact Mass | 551.215532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4mBrYWeOAC |
|---|---|
| Name | JACPANICULINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H33NO9 |
| InChI | InChI=1S/C30H33NO9/c1-17(32)39-16-22-27(30(36)31-13-12-18-4-8-21(33)9-5-18)29(20-7-11-24(35)26(15-20)38-3)40-28(22)19-6-10-23(34)25(14-19)37-2/h4-11,14-15,22,27-29,33-35H,12-13,16H2,1-3H3,(H,31,36)/t22-,27-,28+,29+/m0/s1 |
| InChIKey | QJCJQOHFWDDBIP-KITINDFRSA-N |
| Literature Reference Author | A.HENRICI,M.KALOGA,E.EICH |
| Literature Reference Citation | PHYTOCHEM.,37,1637(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89582-5 |
| Molecular Weight | 551.593 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMS6408 |