| SpectraBase Compound ID | HS25n0EY3Hm |
|---|---|
| InChI | InChI=1S/C23H26N2O11/c1-11-8-14(31-4)9-15(32-5)18(11)22(29)36-19-16(10-33-12(2)26)35-21(20(19)34-13(3)27)25-7-6-17(28)24-23(25)30/h6-9,16,19-21H,10H2,1-5H3,(H,24,28,30)/t16-,19-,20-,21-/m1/s1 |
| InChIKey | URFXVVUPNOJIES-QYRPDUKASA-N |
| Mol Weight | 506.46 g/mol |
| Molecular Formula | C23H26N2O11 |
| Exact Mass | 506.15366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZqozTryMRJ |
|---|---|
| Name | Kipukasin D, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.153659654 u |
| Formula | C23H26N2O11 |
| InChI | InChI=1S/C23H26N2O11/c1-11-8-14(31-4)9-15(32-5)18(11)22(29)36-19-16(10-33-12(2)26)35-21(20(19)34-13(3)27)25-7-6-17(28)24-23(25)30/h6-9,16,19-21H,10H2,1-5H3,(H,24,28,30)/t16-,19-,20-,21-/m1/s1 |
| InChIKey | URFXVVUPNOJIES-QYRPDUKASA-N |
| Molecular Weight | 506.464 g/mol |
| SMILES | C1(C(=O)O[C@@]2([C@](O[C@@](N3C=CC(=O)NC3=O)([C@@]2(OC(C)=O)[H])[H])(COC(C)=O)[H])[H])=C(C=C(C=C1C)OC)OC |