| SpectraBase Compound ID | BkNNysxHZVG |
|---|---|
| InChI | InChI=1S/C41H50O17/c1-10-26(44)52-31-40-25(16-27(45)48-9)33(5,29(51-21(3)42)23-11-14-49-17-23)12-13-38(40)37-19-50-28(46)15-24(37)34(6)18-39(37,57-36(8,56-38)58-40)41(31,55-22(4)43)30(34)53-32(47)35(7)20(2)54-35/h11,14,17,20,24-25,29-31H,10,12-13,15-16,18-19H2,1-9H3/t20-,24+,25-,29+,30+,31+,33-,34+,35+,36+,37+,38+,39-,40-,41-/m1/s1 |
| InChIKey | QSXQUOLQAOWCFW-JFPIBGRBSA-N |
| Mol Weight | 814.8 g/mol |
| Molecular Formula | C41H50O17 |
| Exact Mass | 814.3048 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3GccpzUulJo |
|---|---|
| Name | Swietenitin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H50O17 |
| InChI | InChI=1S/C41H50O17/c1-10-26(44)52-31-40-25(16-27(45)48-9)33(5,29(51-21(3)42)23-11-14-49-17-23)12-13-38(40)37-19-50-28(46)15-24(37)34(6)18-39(37,57-36(8,56-38)58-40)41(31,55-22(4)43)30(34)53-32(47)35(7)20(2)54-35/h11,14,17,20,24-25,29-31H,10,12-13,15-16,18-19H2,1-9H3/t20-,24+,25-,29+,30+,31+,33-,34+,35+,36+,37+,38+,39-,40-,41-/m1/s1 |
| InChIKey | QSXQUOLQAOWCFW-JFPIBGRBSA-N |
| Molecular Weight | 814.834 g/mol |
| SMILES | [C@]12([C@@]34[C@]5([C@]67O[C@](O3)(C)O[C@@]6([C@@]1(OC(=O)CC)[H])[C@@]([C@@]([C@](c1cocc1)(OC(=O)C)[H])(C)CC7)(CC(=O)OC)[H])[C@@](CC(OC5)=O)([C@]([C@@]2(OC([C@]1(O[C@@]1(C)[H])C)=O)[H])(C)C4)[H])OC(=O)C |
| SPLASH | splash10-00di-7213001940-6098bd73e0e5e2ea8df5 |
| Source of Spectrum | G4-72-1312-3 |
| Wiley ID | 1702152 |