| SpectraBase Compound ID | 6dXhgF55xlM |
|---|---|
| InChI | InChI=1S/C38H67NO14/c1-9-10-15-25(3)36(53-35(45)23-28(38(47)51-8)21-33(43)49-6)31(52-34(44)22-27(37(46)50-7)20-32(42)48-5)19-24(2)18-29(40)16-13-11-12-14-17-30(41)26(4)39/h24-31,36,40-41H,9-23,39H2,1-8H3/t24-,25+,26+,27?,28?,29+,30-,31-,36+/m0/s1 |
| InChIKey | SMHMKWZKOKYCMS-HPAZQALCSA-N |
| Mol Weight | 761.9 g/mol |
| Molecular Formula | C38H67NO14 |
| Exact Mass | 761.456156 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KSS7bWzwERX |
|---|---|
| Name | Tetramethyl Fumonisin B3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H67NO14 |
| InChI | InChI=1S/C38H67NO14/c1-9-10-15-25(3)36(53-35(45)23-28(38(47)51-8)21-33(43)49-6)31(52-34(44)22-27(37(46)50-7)20-32(42)48-5)19-24(2)18-29(40)16-13-11-12-14-17-30(41)26(4)39/h24-31,36,40-41H,9-23,39H2,1-8H3/t24-,25+,26+,27?,28?,29+,30-,31-,36+/m0/s1 |
| InChIKey | SMHMKWZKOKYCMS-HPAZQALCSA-N |
| Instrument Name | Finnigan MAT 312 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.1290070509 |
| Molecular Weight | 761.947 g/mol |
| SMILES | N[C@@]([C@](CCCCCC[C@](C[C@@](C[C@@]([C@@]([C@@](CCCC)(C)[H])(OC(CC(CC(OC)=O)C(=O)OC)=O)[H])(OC(CC(CC(=O)OC)C(=O)OC)=O)[H])(C)[H])(O)[H])(O)[H])(C)[H] |
| SPLASH | splash10-0abi-0942100000-8d3b337912aa2db36d24 |
| Source of Spectrum | RCM-7-357-3b, FB3Me4 |
| Wiley ID | 1837296 |