| SpectraBase Compound ID | 7A3CiI2NkMu |
|---|---|
| InChI | InChI=1S/C38H67NO15/c1-9-10-13-24(3)36(54-35(46)21-27(38(48)52-8)19-33(44)50-6)31(53-34(45)20-26(37(47)51-7)18-32(43)49-5)17-23(2)16-28(40)14-11-12-15-29(41)22-30(42)25(4)39/h23-31,36,40-42H,9-22,39H2,1-8H3/t23-,24+,25-,26+,27+,28+,29+,30-,31-,36+/m0/s1 |
| InChIKey | AKJWNDHBRNLJQW-KNKQANDWSA-N |
| Mol Weight | 777.9 g/mol |
| Molecular Formula | C38H67NO15 |
| Exact Mass | 777.45107 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8PgZxs1LKTL |
|---|---|
| Name | Tetramethyl Fumonisin B1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H67NO15 |
| InChI | InChI=1S/C38H67NO15/c1-9-10-13-24(3)36(54-35(46)21-27(38(48)52-8)19-33(44)50-6)31(53-34(45)20-26(37(47)51-7)18-32(43)49-5)17-23(2)16-28(40)14-11-12-15-29(41)22-30(42)25(4)39/h23-31,36,40-42H,9-22,39H2,1-8H3/t23-,24+,25-,26+,27+,28+,29+,30-,31-,36+/m0/s1 |
| InChIKey | AKJWNDHBRNLJQW-KNKQANDWSA-N |
| Instrument Name | Finnigan MAT 312 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.1290070509 |
| Molecular Weight | 777.946 g/mol |
| SMILES | N[C@]([C@](C[C@@](CCCC[C@](C[C@@](C[C@@]([C@@]([C@@](CCCC)(C)[H])(OC(C[C@@](CC(OC)=O)(C(=O)OC)[H])=O)[H])(OC(C[C@@](CC(=O)OC)(C(=O)OC)[H])=O)[H])(C)[H])(O)[H])(O)[H])(O)[H])(C)[H] |
| SPLASH | splash10-0fer-0961000000-0f3c7b52a73b5b2edd31 |
| Source of Spectrum | RCM-7-357-1b, FB1Me4 |
| Wiley ID | 1837294 |