| SpectraBase Compound ID | Jojk52Fj3kT |
|---|---|
| InChI | InChI=1S/C26H38O8/c1-10-14(3)23(29)32-18(13-19(27)25(6,7)31-9)16(5)17-12-20-26(8,34-20)22(28)21(17)33-24(30)15(4)11-2/h10-11,17-21,27H,5,12-13H2,1-4,6-9H3/b14-10+,15-11-/t17?,18?,19?,20-,21-,26-/m1/s1 |
| InChIKey | XPBNTGONBVFRDJ-COSKGMJDSA-N |
| Mol Weight | 478.6 g/mol |
| Molecular Formula | C26H38O8 |
| Exact Mass | 478.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JotIsfyJk6n |
|---|---|
| Name | Ligudentatone B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.256668176 u |
| Formula | C26H38O8 |
| InChI | InChI=1S/C26H38O8/c1-10-14(3)23(29)32-18(13-19(27)25(6,7)31-9)16(5)17-12-20-26(8,34-20)22(28)21(17)33-24(30)15(4)11-2/h10-11,17-21,27H,5,12-13H2,1-4,6-9H3/b14-10+,15-11-/t17?,18?,19?,20-,21-,26-/m1/s1 |
| InChIKey | XPBNTGONBVFRDJ-COSKGMJDSA-N |
| Molecular Weight | 478.582 g/mol |
| SMILES | [C@@]12(O[C@@]2(CC([C@](C1=O)(OC(\C(=C/C)C)=O)[H])C(C(OC(\C(=C\C)C)=O)CC(C(OC)(C)C)O)=C)[H])C |