| SpectraBase Compound ID | Kng0oDBq2uQ |
|---|---|
| InChI | InChI=1S/C38H63NO10Si/c1-24-21-38(46-11,22-28(40)25(24)2)32(48-35(42)26-17-15-14-16-18-26)33(41)39-34(45-10)29-20-31(49-50(12,13)36(3,4)5)37(6,7)30(47-29)19-27(44-9)23-43-8/h14-18,24-25,27,29-32,34H,19-23H2,1-13H3,(H,39,41)/t24-,25-,27-,29-,30+,31+,32+,34-,38-/m0/s1 |
| InChIKey | JAZZXGWAIGNJRQ-DYBGIECXSA-N |
| Mol Weight | 722.0 g/mol |
| Molecular Formula | C38H63NO10Si |
| Exact Mass | 721.422124 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ch2f52xTPuB |
|---|---|
| Name | 7-O-Benzoyl-13-O-(tert-butyldimethylsilyl)pederin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H63NO10Si |
| InChI | InChI=1S/C38H63NO10Si/c1-24-21-38(46-11,22-28(40)25(24)2)32(48-35(42)26-17-15-14-16-18-26)33(41)39-34(45-10)29-20-31(49-50(12,13)36(3,4)5)37(6,7)30(47-29)19-27(44-9)23-43-8/h14-18,24-25,27,29-32,34H,19-23H2,1-13H3,(H,39,41)/t24-,25-,27-,29-,30+,31+,32+,34-,38-/m0/s1 |
| InChIKey | JAZZXGWAIGNJRQ-DYBGIECXSA-N |
| Molecular Weight | 722.004 g/mol |
| SMILES | N(C([C@]([C@]1(CC(=O)[C@]([C@](C1)(C)[H])(C)[H])OC)(OC(=O)c1ccccc1)[H])=O)[C@]([C@]1(O[C@](C[C@](OC)(COC)[H])(C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])(C)C)[H])[H])(OC)[H] |
| SPLASH | splash10-0a4i-0962113000-8c399ebbf1b54ea19745 |
| Source of Spectrum | SO-0-1199-38 |
| Wiley ID | 1542705 |