| SpectraBase Compound ID | JPZ8k0oWJpi |
|---|---|
| InChI | InChI=1S/C41H52O18/c1-19-35(7,55-19)32(48)54-30-34(6)18-38-36(8,24(34)14-27(46)49-10)41-26(45)16-33(5,29(52-20(2)42)23-12-13-51-17-23)25(15-28(47)50-11)39(41,58-37(9,57-38)59-41)31(53-21(3)43)40(30,38)56-22(4)44/h12-13,17,19,24-26,29-31,45H,14-16,18H2,1-11H3/t19-,24+,25-,26-,29+,30+,31+,33-,34+,35+,36-,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | UOXYGCFXPXLKRL-VGMYXTHPSA-N |
| Mol Weight | 832.8 g/mol |
| Molecular Formula | C41H52O18 |
| Exact Mass | 832.315365 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CP2uUF5okfR |
|---|---|
| Name | Swietenitin G |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H52O18 |
| InChI | InChI=1S/C41H52O18/c1-19-35(7,55-19)32(48)54-30-34(6)18-38-36(8,24(34)14-27(46)49-10)41-26(45)16-33(5,29(52-20(2)42)23-12-13-51-17-23)25(15-28(47)50-11)39(41,58-37(9,57-38)59-41)31(53-21(3)43)40(30,38)56-22(4)44/h12-13,17,19,24-26,29-31,45H,14-16,18H2,1-11H3/t19-,24+,25-,26-,29+,30+,31+,33-,34+,35+,36-,37+,38-,39-,40-,41+/m1/s1 |
| InChIKey | UOXYGCFXPXLKRL-VGMYXTHPSA-N |
| Molecular Weight | 832.849 g/mol |
| SMILES | O[C@]1([C@]23[C@]4([C@@]56[C@]([C@]([C@@]2([C@@]([C@@]([C@](c2cocc2)(OC(=O)C)[H])(C)C1)(CC(=O)OC)[H])O[C@@](O6)(C)O3)(OC(=O)C)[H])([C@]([C@@](C)(C5)[C@@]4(CC(=O)OC)[H])(OC([C@]1(O[C@@]1(C)[H])C)=O)[H])OC(=O)C)C)[H] |
| SPLASH | splash10-001j-9401332420-f473c8637b863d413914 |
| Source of Spectrum | G4-72-1312-8 |
| Wiley ID | 1702147 |