| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5i8mvj8gz77 |
|---|---|
| Name | 5-C-Butyl-5'-o-( 9'-phenyl-9H-xanthen-9'-yl)thymidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 554.241686817 u |
| 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 | C1(N(C=C(C(N1)=O)C)C1OC([C@@](OC2(C3=C(C=CC=C3)OC3=C2C=CC=C3)C2=CC=CC=C2)(CCCC)[H])C(C1)O)=O |