![2'-Chloro-5.alpha.-cholest-2-eno[3,2-d]pyrimidine](/api/spectrum/3T9CXoW0j0n/structure.png?h=300&w=458 "2'-Chloro-5.alpha.-cholest-2-eno[3,2-d]pyrimidine")
| SpectraBase Compound ID | K0LHoJPG56E |
|---|---|
| InChI | InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26-20(17-31-27(30)32-26)16-29(21,5)25(22)13-14-28(23,24)4/h17-19,21-25H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,28-,29+/m1/s1 |
| InChIKey | YQBCXVSUMZLORS-XGRUNVPYSA-N |
| Mol Weight | 457.1 g/mol |
| Molecular Formula | C29H45ClN2 |
| Exact Mass | 456.327127 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 | 3T9CXoW0j0n |
|---|---|
| Name | 2'-Chloro-5.alpha.-cholest-2-eno[3,2-d]pyrimidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45ClN2 |
| InChI | InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-26-20(17-31-27(30)32-26)16-29(21,5)25(22)13-14-28(23,24)4/h17-19,21-25H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,28-,29+/m1/s1 |
| InChIKey | YQBCXVSUMZLORS-XGRUNVPYSA-N |
| Molecular Weight | 457.146 g/mol |
| SMILES | [C@]12([C@@]3([C@@]([C@]4([C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC4)(C)CC3)[H])([H])CC[C@]1(Cc1nc(Cl)ncc1C2)[H])[H])C |
| SPLASH | splash10-0pbc-5018900000-38758c18ef44ce8b9b08 |
| Source of Spectrum | U-1995-894-5 |
| Wiley ID | 766882 |