![2'-Chloro-5-.beta.-cholest-3-eno[4,3-d]pyrimidine](/api/spectrum/9jcm1wnAxMc/structure.png?h=300&w=458 "2'-Chloro-5-.beta.-cholest-3-eno[4,3-d]pyrimidine")
| SpectraBase Compound ID | 4hSHFZG6N3b |
|---|---|
| InChI | InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26-20(17-31-27(30)32-26)13-15-29(25,5)24(21)14-16-28(22,23)4/h17-19,21-25H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,25-,28-,29-/m1/s1 |
| InChIKey | MCPDGNPTVHLKNU-JGCIMKOISA-N |
| Mol Weight | 457.1 g/mol |
| Molecular Formula | C29H45ClN2 |
| Exact Mass | 456.327127 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9jcm1wnAxMc |
|---|---|
| Name | 2'-Chloro-5-.beta.-cholest-3-eno[4,3-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)22-11-12-23-21-9-10-25-26-20(17-31-27(30)32-26)13-15-29(25,5)24(21)14-16-28(22,23)4/h17-19,21-25H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,25-,28-,29-/m1/s1 |
| InChIKey | MCPDGNPTVHLKNU-JGCIMKOISA-N |
| Molecular Weight | 457.146 g/mol |
| SMILES | [C@]12([C@@](c3nc(ncc3CC1)Cl)(CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C |
| SPLASH | splash10-053r-3800900000-a9439c28f99dd9f0fee1 |
| Source of Spectrum | U-1995-1875-7 |
| Wiley ID | 820124 |