| SpectraBase Compound ID | 5C8Rgy4saYa |
|---|---|
| InChI | InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | FVECELJHCSPHKY-YFUMOZOISA-N |
| Mol Weight | 673.8 g/mol |
| Molecular Formula | C36H51NO11 |
| Exact Mass | 673.346211 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AsDP48fqQjO |
|---|---|
| Name | Veratridine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H51NO11 |
| InChI | InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | FVECELJHCSPHKY-YFUMOZOISA-N |
| Molecular Weight | 673.800 g/mol |
| SMILES | O[C@@]12[C@@]3([C@@]([C@]4(C[C@]5([C@]6([C@]([C@](C[C@]5([C@@]4(CC3)[H])O)(O)[H])([C@@]([C@]3(N(C6)C[C@](CC3)(C)[H])[H])(O)C)O)[H])O)O1)(CC[C@@]2(OC(c1cc(OC)c(cc1)OC)=O)[H])C)[H] |
| SPLASH | splash10-006y-0000901000-561b5802ca688dce7fc9 |
| Source of Spectrum | JC-356-454-4 |
| Wiley ID | 1414049 |