| SpectraBase Compound ID | JonWKRlRoIB |
|---|---|
| InChI | InChI=1S/C39H42N2O8/c1-40-14-13-26-20-35(47-6)37(48-7)38(49-34-21-27-25(19-33(34)46-5)12-15-41(2)39(27)43)36(26)30(40)18-23-8-10-31(44-3)28(16-23)29-17-24(22-42)9-11-32(29)45-4/h8-11,16-17,19-22,30H,12-15,18H2,1-7H3 |
| InChIKey | HKRPMAQKIGSQEQ-UHFFFAOYSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C39H42N2O8 |
| Exact Mass | 666.294116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JO0039RVK5w |
|---|---|
| Name | O,O-DIMETHYL-SECANTIOQUINE |
| Compound Number | 267 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H42N2O8 |
| InChI | InChI=1S/C39H42N2O8/c1-40-14-13-26-20-35(47-6)37(48-7)38(49-34-21-27-25(19-33(34)46-5)12-15-41(2)39(27)43)36(26)30(40)18-23-8-10-31(44-3)28(16-23)29-17-24(22-42)9-11-32(29)45-4/h8-11,16-17,19-22,30H,12-15,18H2,1-7H3 |
| InChIKey | HKRPMAQKIGSQEQ-UHFFFAOYSA-N |
| Literature Reference Author | P.L.SCHIFF |
| Literature Reference Citation | J.NAT.PROD.,50,529(1987) |
| Literature Reference DOI | 10.1021/np50052a001 |
| Molecular Weight | 666.771 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17938 |