| SpectraBase Compound ID | 2uGzhm9oFhR |
|---|---|
| InChI | InChI=1S/C32H47ClN4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-23(37-19-36-28-29(33)34-18-35-30(28)37)13-15-31(22,4)27(24)14-16-32(25,26)5/h9,18-21,23-27H,6-8,10-17H2,1-5H3/t21-,23+,24+,25-,26+,27+,31?,32?/m1/s1 |
| InChIKey | OWJFQOQDBYUJQI-UISWNVPXSA-N |
| Mol Weight | 523.2 g/mol |
| Molecular Formula | C32H47ClN4 |
| Exact Mass | 522.348925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7NuRhml81u |
|---|---|
| Name | 3-BETA-(6-CHLOROPURIN-9-YL)-5-CHOLESTENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H47ClN4 |
| InChI | InChI=1S/C32H47ClN4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-23(37-19-36-28-29(33)34-18-35-30(28)37)13-15-31(22,4)27(24)14-16-32(25,26)5/h9,18-21,23-27H,6-8,10-17H2,1-5H3/t21-,23+,24+,25-,26+,27+,31?,32?/m1/s1 |
| InChIKey | OWJFQOQDBYUJQI-UISWNVPXSA-N |
| Literature Reference Author | R.A.CADENAS,M.E.GELPI,J.MOSETTIG |
| Literature Reference Citation | J.HETCYCL.CHEM.,42,1(2005) |
| Literature Reference DOI | 10.1002/jhet.5570420101 |
| Molecular Weight | 523.205 g/mol |
| Sample ID | 42276 |
| Solvent | DMSO-D6 |