| SpectraBase Compound ID | B5YkARF9Ecm |
|---|---|
| InChI | InChI=1S/C30H42N2O8/c1-5-32(36)15-27(40-26(33)16-8-6-7-9-19(16)31)11-10-23(38-3)29-21(27)13-18(24(29)32)28(34)14-20(37-2)17-12-22(29)30(28,35)25(17)39-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17?,18?,20-,21?,22?,23-,24?,25-,27+,28-,29?,30-,32?/m0/s1 |
| InChIKey | YXXWXYIHZXEMSS-INKFNVIHSA-N |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C30H42N2O8 |
| Exact Mass | 558.294116 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DbGK3PFYVM2 |
|---|---|
| Name | N-Deacetyl-lappaconitine - N-oxide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H42N2O8 |
| InChI | InChI=1S/C30H42N2O8/c1-5-32(36)15-27(40-26(33)16-8-6-7-9-19(16)31)11-10-23(38-3)29-21(27)13-18(24(29)32)28(34)14-20(37-2)17-12-22(29)30(28,35)25(17)39-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17?,18?,20-,21?,22?,23-,24?,25-,27+,28-,29?,30-,32?/m0/s1 |
| InChIKey | YXXWXYIHZXEMSS-INKFNVIHSA-N |
| Molecular Weight | 558.672 g/mol |
| SMILES | Nc1c(C(O[C@]23C4CC5[C@@]6([C@@]7(C(C4(C5[N+](C3)([O-])CC)[C@](CC2)(OC)[H])CC([C@@]7(OC)[H])[C@@](OC)(C6)[H])O)O)=O)cccc1 |
| SPLASH | splash10-001i-9006000000-94fc50ac2e302e2aab2b |
| Source of Spectrum | G4-58-933-8 |
| Wiley ID | 1605935 |