| SpectraBase Compound ID | AfvvPUE6Kpp |
|---|---|
| InChI | InChI=1S/C29H36O9/c1-14(30)36-24-21-22(33)28(5,17(26(24,2)3)11-19(31)34-6)16-7-9-27(4)18(29(16)25(21)38-29)12-20(32)37-23(27)15-8-10-35-13-15/h8,10,13,16-18,21,23-25H,7,9,11-12H2,1-6H3/t16-,17+,18-,21-,23+,24-,25-,27-,28-,29-/m1/s1 |
| InChIKey | OEAILFQKPDJEPG-KQOVNBMPSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C29H36O9 |
| Exact Mass | 528.235933 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 49DJw2zTWsu |
|---|---|
| Name | Xylocarpin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36O9 |
| InChI | InChI=1S/C29H36O9/c1-14(30)36-24-21-22(33)28(5,17(26(24,2)3)11-19(31)34-6)16-7-9-27(4)18(29(16)25(21)38-29)12-20(32)37-23(27)15-8-10-35-13-15/h8,10,13,16-18,21,23-25H,7,9,11-12H2,1-6H3/t16-,17+,18-,21-,23+,24-,25-,27-,28-,29-/m1/s1 |
| InChIKey | OEAILFQKPDJEPG-KQOVNBMPSA-N |
| Molecular Weight | 528.598 g/mol |
| SMILES | [C@]123[C@@]([C@]4([C@@](OC(=O)C)(C([C@@]([C@@]([C@]3(CC[C@@]3([C@]1(CC(O[C@]3(c1cocc1)[H])=O)[H])C)[H])(C4=O)C)(CC(=O)OC)[H])(C)C)[H])[H])(O2)[H] |
| SPLASH | splash10-00xr-3292010000-fbbfab5ad4b186fade8c |
| Source of Spectrum | G4-59-546-2 |
| Wiley ID | 1606340 |