| SpectraBase Compound ID | 7f29vOS4cex |
|---|---|
| InChI | InChI=1S/C22H33NO6/c1-4-23(27)10-20(2)7-6-13(28-3)22-12-9-11-5-8-21(26,14(12)19(25)29-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11?,12?,13-,14?,15?,16+,17?,18?,20-,21+,22?,23?/m0/s1 |
| InChIKey | BLIJXCZSTVKOIG-GXZCKBQSSA-N |
| Mol Weight | 407.5 g/mol |
| Molecular Formula | C22H33NO6 |
| Exact Mass | 407.230788 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HYlsYI5NN4x |
|---|---|
| Name | Heteratisine - N-oxide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33NO6 |
| InChI | InChI=1S/C22H33NO6/c1-4-23(27)10-20(2)7-6-13(28-3)22-12-9-11-5-8-21(26,14(12)19(25)29-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11?,12?,13-,14?,15?,16+,17?,18?,20-,21+,22?,23?/m0/s1 |
| InChIKey | BLIJXCZSTVKOIG-GXZCKBQSSA-N |
| Molecular Weight | 407.507 g/mol |
| SMILES | O[C@@]1(C2C3C4(C5C6[C@@]2(CCC(C5)OC6=O)O)C1[C@@](C[N+]3([O-])CC)(C)CC[C@@]4(OC)[H])[H] |
| SPLASH | splash10-01qc-0019000000-01c201c328b53cd151bd |
| Source of Spectrum | G4-58-933-6 |
| Wiley ID | 1605937 |