| SpectraBase Compound ID | CYeJaUD91Gy |
|---|---|
| InChI | InChI=1S/C41H50O16/c1-10-21(3)31(47)53-32-35(7)19-39-37(20-50-29(46)16-25(35)37)38-14-13-34(6,30(51-22(4)42)24-12-15-49-18-24)26(17-28(45)48-9)40(38,57-36(8,55-38)56-39)33(52-27(44)11-2)41(32,39)54-23(5)43/h10,12,15,18,25-26,30,32-33H,11,13-14,16-17,19-20H2,1-9H3/b21-10+/t25-,26+,30-,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+/m0/s1 |
| InChIKey | QEKCNVYECXGGRN-RFQGVKAOSA-N |
| Mol Weight | 798.8 g/mol |
| Molecular Formula | C41H50O16 |
| Exact Mass | 798.309886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JBo4JUAQr4b |
|---|---|
| Name | Swietenitin E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H50O16 |
| InChI | InChI=1S/C41H50O16/c1-10-21(3)31(47)53-32-35(7)19-39-37(20-50-29(46)16-25(35)37)38-14-13-34(6,30(51-22(4)42)24-12-15-49-18-24)26(17-28(45)48-9)40(38,57-36(8,55-38)56-39)33(52-27(44)11-2)41(32,39)54-23(5)43/h10,12,15,18,25-26,30,32-33H,11,13-14,16-17,19-20H2,1-9H3/b21-10+/t25-,26+,30-,32-,33-,34+,35-,36-,37-,38-,39+,40+,41+/m0/s1 |
| InChIKey | QEKCNVYECXGGRN-RFQGVKAOSA-N |
| Molecular Weight | 798.835 g/mol |
| SMILES | [C@]12([C@]34[C@]5([C@]67O[C@](O4)(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(=C\C)C)=O)[H])(C)C3)[H])OC(=O)C |
| SPLASH | splash10-053r-9100000400-f69e4ed6fa6eacca7e3a |
| Source of Spectrum | G4-72-1312-5 |
| Wiley ID | 1702150 |