| SpectraBase Compound ID | AOWktpoAyCb |
|---|---|
| InChI | InChI=1S/C20H31NO7/c1-6-13(4)18(23)28-16-8-10-21(26)9-7-15(17(16)21)11-27-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+,21?/m1/s1 |
| InChIKey | MTHHNSCIBYQVSB-RXMVFFGASA-N |
| Mol Weight | 397.47 g/mol |
| Molecular Formula | C20H31NO7 |
| Exact Mass | 397.210052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LkXDumXrH91 |
|---|---|
| Name | MYOSCORPINE-N-OXIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H31NO7 |
| InChI | InChI=1S/C20H31NO7/c1-6-13(4)18(23)28-16-8-10-21(26)9-7-15(17(16)21)11-27-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+,21?/m1/s1 |
| InChIKey | MTHHNSCIBYQVSB-RXMVFFGASA-N |
| Literature Reference Author | E.ROEDER,K.LIU,T.BOURAUEL |
| Literature Reference Citation | PHYTOCHEM.,30,3107(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)98263-3 |
| Molecular Weight | 397.469 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN31047 |