![2'-Methyl-5.alpha.-cholest-2-eno[3,2-d]pyrimidine](/api/spectrum/E9NRJEnDDYR/structure.png?h=300&w=458 "2'-Methyl-5.alpha.-cholest-2-eno[3,2-d]pyrimidine")
| SpectraBase Compound ID | 6jWnuSZX4GO |
|---|---|
| InChI | InChI=1S/C30H48N2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-16-28-22(18-31-21(4)32-28)17-30(23,6)27(24)14-15-29(25,26)5/h18-20,23-27H,7-17H2,1-6H3/t20-,23+,24+,25-,26+,27+,29-,30+/m1/s1 |
| InChIKey | AAILDSGJZUKTTC-YOZJVNOKSA-N |
| Mol Weight | 436.7 g/mol |
| Molecular Formula | C30H48N2 |
| Exact Mass | 436.38175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9NRJEnDDYR |
|---|---|
| Name | 2'-Methyl-5.alpha.-cholest-2-eno[3,2-D]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.381749554 u |
| Formula | C30H48N2 |
| InChI | InChI=1S/C30H48N2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-16-28-22(18-31-21(4)32-28)17-30(23,6)27(24)14-15-29(25,26)5/h18-20,23-27H,7-17H2,1-6H3/t20-,23+,24+,25-,26+,27+,29-,30+/m1/s1 |
| InChIKey | AAILDSGJZUKTTC-YOZJVNOKSA-N |
| Molecular Weight | 436.728 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(CC=1N=C(C)N=CC1C2)[H])[H])C |