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O,O-DIMETHYLSECANTIOQUINE

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O,O-DIMETHYLSECANTIOQUINE
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78yD7V4XRDZ
Name O,O-DIMETHYLSECANTIOQUINE
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 D.CORTES,J.SAEZ,R.HOCQUEMILLER,A.CAVE,A.CAVE
Literature Reference Citation J.NAT.PROD.,48,76(1985)
Literature Reference DOI 10.1021/np50037a014
Molecular Weight 666.771 g/mol
Solvent Unknown
Source File Reference UWCS3197