![18-[5-[1-(3-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE](/api/spectrum/DeqL784jbrM/structure.png?h=300&w=458 "18-[5-[1-(3-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE")
| SpectraBase Compound ID | 87pO0MGodaE |
|---|---|
| InChI | InChI=1S/C33H42ClN3O2/c1-23(2)24-13-15-29-25(19-24)14-16-30-32(3,17-8-18-33(29,30)4)22-39-31(38)12-6-5-10-27-21-37(36-35-27)28-11-7-9-26(34)20-28/h7,9,11,13,15,19-21,23,30H,5-6,8,10,12,14,16-18,22H2,1-4H3/t30-,32-,33+/m0/s1 |
| InChIKey | IZBXUIIGIJPOJJ-FLPLPDKSSA-N |
| Mol Weight | 548.2 g/mol |
| Molecular Formula | C33H42ClN3O2 |
| Exact Mass | 547.296555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeqL784jbrM |
|---|---|
| Name | 18-[5-[1-(3-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-4-YL]-PENTANOYLOXY]-8,11,13-ABIETATRIENE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42ClN3O2 |
| InChI | InChI=1S/C33H42ClN3O2/c1-23(2)24-13-15-29-25(19-24)14-16-30-32(3,17-8-18-33(29,30)4)22-39-31(38)12-6-5-10-27-21-37(36-35-27)28-11-7-9-26(34)20-28/h7,9,11,13,15,19-21,23,30H,5-6,8,10,12,14,16-18,22H2,1-4H3/t30-,32-,33+/m0/s1 |
| InChIKey | IZBXUIIGIJPOJJ-FLPLPDKSSA-N |
| Literature Reference Author | M.W.PERTINO,V.VERDUGO,C.THEODULOZ,G.SCHMEDA-HIRSCHMANN |
| Literature Reference Citation | MOLECULES,19,2523(2014) |
| Literature Reference DOI | 10.3390/molecules19022523 |
| Molecular Weight | 548.168 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT14372 |