| SpectraBase Compound ID | HbMEWL2Gk5x |
|---|---|
| InChI | InChI=1S/C36H43NO17/c1-15-16(2)30(43)53-26-22(32(45)47-9)27(50-18(4)39)35(14-48-17(3)38)29(52-20(6)41)25(42)23-28(51-19(5)40)36(35,34(26,8)46)54-33(23,7)13-49-31(44)21-11-10-12-37-24(15)21/h10-12,15-16,22-23,26-29,46H,13-14H2,1-9H3/t15-,16-,22-,23-,26-,27-,28+,29+,33-,34-,35-,36-/m0/s1 |
| InChIKey | FXOSIRWZCOHPDW-CULSSINFSA-N |
| Mol Weight | 761.7 g/mol |
| Molecular Formula | C36H43NO17 |
| Exact Mass | 761.253099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhYtdkAxNzs |
|---|---|
| Name | Evonine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 761.253098912 u |
| Formula | C36H43NO17 |
| InChI | InChI=1S/C36H43NO17/c1-15-16(2)30(43)53-26-22(32(45)47-9)27(50-18(4)39)35(14-48-17(3)38)29(52-20(6)41)25(42)23-28(51-19(5)40)36(35,34(26,8)46)54-33(23,7)13-49-31(44)21-11-10-12-37-24(15)21/h10-12,15-16,22-23,26-29,46H,13-14H2,1-9H3/t15-,16-,22-,23-,26-,27-,28+,29+,33-,34-,35-,36-/m0/s1 |
| InChIKey | FXOSIRWZCOHPDW-CULSSINFSA-N |
| Molecular Weight | 761.730 g/mol |
| SMILES | [C@]123[C@@]4([C@](OC(=O)C)(C([C@]([C@]3(OC(=O)C)[H])([H])[C@@](O1)(COC(C1=C(N=CC=C1)[C@]([C@@](C(O[C@]([C@@]2(O)C)([C@](C(=O)OC)([C@@]4(OC(=O)C)[H])[H])[H])=O)(C)[H])(C)[H])=O)C)=O)[H])COC(=O)C |