| SpectraBase Compound ID | 8onIB2WsFIy |
|---|---|
| InChI | InChI=1S/C43H56O18/c1-13-22(3)31(49)55-32-34(6)21-39(56-24(5)45)36(8,26(34)17-28(47)50-10)42-27(46)18-35(7,30(54-23(4)44)25-15-16-53-20-25)38(19-29(48)51-11)43(42,60-37(9,58-38)59-42)33-41(32,39)61-40(14-2,52-12)57-33/h13,15-16,20,26-27,30,32-33,46H,14,17-19,21H2,1-12H3/b22-13+/t26-,27+,30-,32-,33+,34-,35-,36+,37?,38-,39+,40+,41-,42-,43-/m0/s1 |
| InChIKey | UGRRJIVTSSDENE-BYOMBBAXSA-N |
| Mol Weight | 860.9 g/mol |
| Molecular Formula | C43H56O18 |
| Exact Mass | 860.346665 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UjLz5jZqqM |
|---|---|
| Name | Swietenitin J |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H56O18 |
| InChI | InChI=1S/C43H56O18/c1-13-22(3)31(49)55-32-34(6)21-39(56-24(5)45)36(8,26(34)17-28(47)50-10)42-27(46)18-35(7,30(54-23(4)44)25-15-16-53-20-25)38(19-29(48)51-11)43(42,60-37(9,58-38)59-42)33-41(32,39)61-40(14-2,52-12)57-33/h13,15-16,20,26-27,30,32-33,46H,14,17-19,21H2,1-12H3/b22-13+/t26-,27+,30-,32-,33+,34-,35-,36+,37?,38-,39+,40+,41-,42-,43-/m0/s1 |
| InChIKey | UGRRJIVTSSDENE-BYOMBBAXSA-N |
| Molecular Weight | 860.903 g/mol |
| SMILES | O[C@]1([C@]23[C@@]4([C@]([C@@]([C@](c5cocc5)(OC(=O)C)[H])(C)C1)(OC(O4)(C)O2)CC(=O)OC)[C@]1([C@@]2([C@]4(C[C@@]([C@@]2(OC(\C(=C\C)C)=O)[H])(C)[C@@]([C@@]34C)(CC(=O)OC)[H])OC(=O)C)O[C@@](O1)(OC)CC)[H])[H] |
| SPLASH | splash10-001i-9000000410-c6050bd516f5445e507b |
| Source of Spectrum | G4-72-1312-14 |
| Wiley ID | 1702142 |