| SpectraBase Compound ID | 9IFvmaYXapD |
|---|---|
| InChI | InChI=1S/C40H48N2O8/c1-6-7-23-32(38-41-35(30-19-13-9-14-20-30)37(50-38)31-21-15-10-16-22-31)36(49-33(44)24-26(2)3)28(5)48-39(45)34(27(4)43)42-40(46)47-25-29-17-11-8-12-18-29/h8-22,26-28,32,34,36,43H,6-7,23-25H2,1-5H3,(H,42,46)/t27-,28+,32-,34+,36+/m1/s1 |
| InChIKey | ZFIGVXYGBKYKOX-HZJCUELXSA-N |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C40H48N2O8 |
| Exact Mass | 684.341067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3Z5w4NBPRC |
|---|---|
| Name | (+)-(1R,2R,3S)-2-(3-(N-benzyloxycarbonyl-L-threonyloxy)-1-N-butyl-2-isobutylcarbonyloxybutyl)-4,5-diphenyloxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 684.341066506 u |
| Formula | C40H48N2O8 |
| InChI | InChI=1S/C40H48N2O8/c1-6-7-23-32(38-41-35(30-19-13-9-14-20-30)37(50-38)31-21-15-10-16-22-31)36(49-33(44)24-26(2)3)28(5)48-39(45)34(27(4)43)42-40(46)47-25-29-17-11-8-12-18-29/h8-22,26-28,32,34,36,43H,6-7,23-25H2,1-5H3,(H,42,46)/t27-,28+,32-,34+,36+/m1/s1 |
| InChIKey | ZFIGVXYGBKYKOX-HZJCUELXSA-N |
| SMILES | C1(=NC(C=2C=CC=CC2)=C(O1)C1=CC=CC=C1)[C@@]([C@]([C@@](OC([C@@](NC(=O)OCC=1C=CC=CC1)([C@](O)(C)[H])[H])=O)(C)[H])(OC(=O)CC(C)C)[H])(CCCC)[H] |