| SpectraBase Compound ID | ELETRTipCte |
|---|---|
| InChI | InChI=1S/C40H52O16/c1-11-25(42)51-30-39(46)29(52-31(45)34(6)20(2)53-34)33(5)19-38(39)35(7,23(33)16-26(43)47-9)37-14-13-32(4,28(50-21(3)41)22-12-15-49-18-22)24(17-27(44)48-10)40(30,37)56-36(8,54-37)55-38/h12,15,18,20,23-24,28-30,46H,11,13-14,16-17,19H2,1-10H3/t20-,23+,24-,28+,29+,30-,32-,33+,34+,35+,36+,37+,38-,39-,40-/m1/s1 |
| InChIKey | RMOMLHJZXJDJPU-LGXLQOOSSA-N |
| Mol Weight | 788.8 g/mol |
| Molecular Formula | C40H52O16 |
| Exact Mass | 788.325536 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Eu6m2SCemf4 |
|---|---|
| Name | 11-Deoxy-swietenialide D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H52O16 |
| InChI | InChI=1S/C40H52O16/c1-11-25(42)51-30-39(46)29(52-31(45)34(6)20(2)53-34)33(5)19-38(39)35(7,23(33)16-26(43)47-9)37-14-13-32(4,28(50-21(3)41)22-12-15-49-18-22)24(17-27(44)48-10)40(30,37)56-36(8,54-37)55-38/h12,15,18,20,23-24,28-30,46H,11,13-14,16-17,19H2,1-10H3/t20-,23+,24-,28+,29+,30-,32-,33+,34+,35+,36+,37+,38-,39-,40-/m1/s1 |
| InChIKey | RMOMLHJZXJDJPU-LGXLQOOSSA-N |
| Molecular Weight | 788.840 g/mol |
| SMILES | O[C@@]12[C@]34[C@]([C@]56O[C@](O4)(C)O[C@@]5([C@@]1(OC(=O)CC)[H])[C@@]([C@@]([C@](c1cocc1)(OC(=O)C)[H])(C)CC6)(CC(=O)OC)[H])([C@@](CC(=O)OC)([C@]([C@@]2(OC([C@]1(O[C@@]1(C)[H])C)=O)[H])(C)C3)[H])C |
| SPLASH | splash10-00ai-9416200100-140d5f9f546a2d886096 |
| Source of Spectrum | G4-72-1312-11 |
| Wiley ID | 1714672 |