| SpectraBase Compound ID | IgmMPufQwrh |
|---|---|
| InChI | InChI=1S/C33H37N2O8PS/c1-22-20-35(32(37)34-31(22)36)30-19-28(43-44(4,38)45-5)29(42-30)21-41-33(23-9-7-6-8-10-23,24-11-15-26(39-2)16-12-24)25-13-17-27(40-3)18-14-25/h6-18,20,28-30H,19,21H2,1-5H3,(H,34,36,37)/t28-,29+,30+,44?/m1/s1 |
| InChIKey | ODYILYPFNAUQSK-DERTWLBKSA-N |
| Mol Weight | 652.7 g/mol |
| Molecular Formula | C33H37N2O8PS |
| Exact Mass | 652.200824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74LDFwHV5kF |
|---|---|
| Name | R=CH3) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 652.200824323 u |
| Formula | C33H37N2O8PS |
| InChI | InChI=1S/C33H37N2O8PS/c1-22-20-35(32(37)34-31(22)36)30-19-28(43-44(4,38)45-5)29(42-30)21-41-33(23-9-7-6-8-10-23,24-11-15-26(39-2)16-12-24)25-13-17-27(40-3)18-14-25/h6-18,20,28-30H,19,21H2,1-5H3,(H,34,36,37)/t28-,29+,30+,44?/m1/s1 |
| InChIKey | ODYILYPFNAUQSK-DERTWLBKSA-N |
| Molecular Weight | 652.699 g/mol |
| SMILES | C1(=O)NC(=O)C(C)=CN1[C@@]1(C[C@@](OP(C)(=O)SC)([C@@](O1)(COC(C1=CC=C(OC)C=C1)(C1=CC=CC=C1)C1=CC=C(OC)C=C1)[H])[H])[H] |