![2'-Acetylamino-5.alpha.-cholest-2-eno[3,2-d]pyrimidine](/api/spectrum/4aCuL93KzRl/structure.png?h=300&w=458 "2'-Acetylamino-5.alpha.-cholest-2-eno[3,2-d]pyrimidine")
| SpectraBase Compound ID | 2K0vONow5nJ |
|---|---|
| InChI | InChI=1S/C31H49N3O/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-16-28-22(18-32-29(34-28)33-21(4)35)17-31(23,6)27(24)14-15-30(25,26)5/h18-20,23-27H,7-17H2,1-6H3,(H,32,33,34,35)/t20-,23+,24+,25-,26+,27+,30-,31+/m1/s1 |
| InChIKey | DUBUNSWWWXSCRJ-WXDAFYBVSA-N |
| Mol Weight | 479.8 g/mol |
| Molecular Formula | C31H49N3O |
| Exact Mass | 479.387563 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4aCuL93KzRl |
|---|---|
| Name | 2'-Acetylamino-5.alpha.-cholest-2-eno[3,2-d]pyrimidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H49N3O |
| InChI | InChI=1S/C31H49N3O/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-16-28-22(18-32-29(34-28)33-21(4)35)17-31(23,6)27(24)14-15-30(25,26)5/h18-20,23-27H,7-17H2,1-6H3,(H,32,33,34,35)/t20-,23+,24+,25-,26+,27+,30-,31+/m1/s1 |
| InChIKey | DUBUNSWWWXSCRJ-WXDAFYBVSA-N |
| Molecular Weight | 479.753 g/mol |
| SMILES | N(c1nc2C[C@]3([C@@]([C@@]4([C@@]([C@]5([C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC5)(C)CC4)[H])([H])CC3)[H])(Cc2cn1)C)[H])C(=O)C |
| SPLASH | splash10-00c9-0411900000-57f48c430b8ab8797e30 |
| Source of Spectrum | U-1995-894-5 |
| Wiley ID | 766881 |