| SpectraBase Compound ID | 7yKm7LpuIYr |
|---|---|
| InChI | InChI=1S/C33H34N2O6/c1-3-4-16-28(30-25(36)19-29(40-30)35-20-21(2)31(37)34-32(35)38)41-33(22-12-6-5-7-13-22)23-14-8-10-17-26(23)39-27-18-11-9-15-24(27)33/h5-15,17-18,20,25,28-30,36H,3-4,16,19H2,1-2H3,(H,34,37,38)/t25?,28-,29?,30?/m0/s1 |
| InChIKey | DNCJMTGANVDMQJ-ODWMIBONSA-N |
| Mol Weight | 554.6 g/mol |
| Molecular Formula | C33H34N2O6 |
| Exact Mass | 554.241687 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IMWTh58ftf5 |
|---|---|
| Name | 5-C-Butyl-5'-O-( 9'-phenyl-9H-xanthen-9'-yl)thymidine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H34N2O6 |
| InChI | InChI=1S/C33H34N2O6/c1-3-4-16-28(30-25(36)19-29(40-30)35-20-21(2)31(37)34-32(35)38)41-33(22-12-6-5-7-13-22)23-14-8-10-17-26(23)39-27-18-11-9-15-24(27)33/h5-15,17-18,20,25,28-30,36H,3-4,16,19H2,1-2H3,(H,34,37,38)/t25?,28-,29?,30?/m0/s1 |
| InChIKey | DNCJMTGANVDMQJ-ODWMIBONSA-N |
| Molecular Weight | 554.643 g/mol |
| SMILES | N1C(C(=CN(C2CC(C(O2)[C@@](OC2(c3c(cccc3)Oc3c2cccc3)c2ccccc2)(CCCC)[H])O)C1=O)C)=O |
| SPLASH | splash10-0a4i-0090000000-624cf393ffd526ded8bd |
| Source of Spectrum | H-84-97-8 |
| Synonyms | 1-{4-Hydroxy-5-[(S)-1-(9-phenyl-9H-xanthen-9-yloxy)-pentyl]-tetrahydro-furan-2-yl}-5-methyl-1H-pyrimidine-2,4-dione |
| Wiley ID | 847455 |