| SpectraBase Compound ID | 6vH8Riof8xq |
|---|---|
| InChI | InChI=1S/C36H47NO17/c1-15-16(2)29(44)51-27-24(42)25(43)35(14-48-17(3)38)28(52-31(46)32(6,7)53-19(5)40)23(41)21-26(50-18(4)39)36(35,34(27,9)47)54-33(21,8)13-49-30(45)20-11-10-12-37-22(15)20/h10-12,15-16,21,23-28,41-43,47H,13-14H2,1-9H3/t15?,16?,21-,23-,24-,25+,26-,27-,28+,33+,34+,35+,36+/m1/s1 |
| InChIKey | XSWDUVPFSRAMCL-STTNFNNHSA-N |
| Mol Weight | 765.8 g/mol |
| Molecular Formula | C36H47NO17 |
| Exact Mass | 765.284399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YxPZlSjuKM |
|---|---|
| Name | Evonine, 8-(acetyloxy)-O2,O9,O15-trideacetyl-8-deoxo-, 9-(2-hydroxy-2-methylpropanoate), (8.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 765.284399040 u |
| Formula | C36H47NO17 |
| InChI | InChI=1S/C36H47NO17/c1-15-16(2)29(44)51-27-24(42)25(43)35(14-48-17(3)38)28(52-31(46)32(6,7)53-19(5)40)23(41)21-26(50-18(4)39)36(35,34(27,9)47)54-33(21,8)13-49-30(45)20-11-10-12-37-22(15)20/h10-12,15-16,21,23-28,41-43,47H,13-14H2,1-9H3/t15?,16?,21-,23-,24-,25+,26-,27-,28+,33+,34+,35+,36+/m1/s1 |
| InChIKey | XSWDUVPFSRAMCL-STTNFNNHSA-N |
| Molecular Weight | 765.762 g/mol |
| SMILES | [C@]123[C@@]4([C@](OC(C(OC(=O)C)(C)C)=O)(C([C@]([C@]3(OC(=O)C)[H])([C@@](O1)(COC(C1=C(N=CC=C1)C(C(C(O[C@@]([C@@]2(O)C)([C@](O)([C@@]4(O)[H])[H])[H])=O)C)C)=O)C)[H])O)[H])COC(=O)C |