| SpectraBase Compound ID | GcCyrkNpkTa |
|---|---|
| InChI | InChI=1S/C35H54N2O3/c1-22(2)24-11-16-35(21-40-30(39)37-20-19-36-23(37)3)18-17-33(7)25(29(24)35)9-10-27-32(6)14-13-28(38)31(4,5)26(32)12-15-34(27,33)8/h19-20,24-29,38H,1,9-18,21H2,2-8H3/t24-,25+,26-,27+,28-,29+,32-,33+,34+,35+/m0/s1 |
| InChIKey | QJTZXMYTWMAXII-HJTUWXLRSA-N |
| Mol Weight | 550.8 g/mol |
| Molecular Formula | C35H54N2O3 |
| Exact Mass | 550.413444 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7yArPSFFO5h |
|---|---|
| Name | 3.beta.-hydroxy-lup-20(29)-en-28-yl-2'-methyl-1H-imidazole-1-carboxylate |
| Appearance | Yellowish solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H54N2O3 |
| InChI | InChI=1S/C35H54N2O3/c1-22(2)24-11-16-35(21-40-30(39)37-20-19-36-23(37)3)18-17-33(7)25(29(24)35)9-10-27-32(6)14-13-28(38)31(4,5)26(32)12-15-34(27,33)8/h19-20,24-29,38H,1,9-18,21H2,2-8H3/t24-,25+,26-,27+,28-,29+,32-,33+,34+,35+/m0/s1 |
| InChIKey | QJTZXMYTWMAXII-HJTUWXLRSA-N |
| Instrument Name | Finnigan Polaris Q GCMS Benchtop Ion Trap |
| Ionization Type | EI |
| Molecular Weight | 550.828 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1([C@@]2([C@@](CC1)(C(C)=C)[H])[H])COC([n]1ccnc1C)=O)C)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-001i-9600000000-dde05778bd4554241eec |
| Source of Spectrum | WO2010134830A1 |
| Wiley ID | 1844276 |