| SpectraBase Compound ID | 5TIV3o6aMAQ |
|---|---|
| InChI | InChI=1S/C33H45NO8/c1-7-34-16-31(17-37-2)13-12-22(39-4)33-21-15-32(36)23(40-5)14-20(25(28(33)34)26(41-6)27(31)33)24(21)29(32)42-30(35)18-8-10-19(38-3)11-9-18/h8-11,14,21-29,36H,7,12-13,15-17H2,1-6H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32-,33+/m1/s1 |
| InChIKey | SBXDCKAIYQOKAD-FYKUGDNCSA-N |
| Mol Weight | 583.7 g/mol |
| Molecular Formula | C33H45NO8 |
| Exact Mass | 583.314517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dq9sXXPUaf |
|---|---|
| Name | PYROCRASSICAULINE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H45NO8 |
| InChI | InChI=1S/C33H45NO8/c1-7-34-16-31(17-37-2)13-12-22(39-4)33-21-15-32(36)23(40-5)14-20(25(28(33)34)26(41-6)27(31)33)24(21)29(32)42-30(35)18-8-10-19(38-3)11-9-18/h8-11,14,21-29,36H,7,12-13,15-17H2,1-6H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32-,33+/m1/s1 |
| InChIKey | SBXDCKAIYQOKAD-FYKUGDNCSA-N |
| Literature Reference Author | J.M.YUE,Y.Z.CHEN |
| Literature Reference Citation | PHYTOCHEM.,35,829(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90619-8 |
| Molecular Weight | 583.722 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU25181 |