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Neogrifolin, 2me derivative

View entire compound with spectra: 1 NMR

Neogrifolin, 2me derivative
SpectraBase Compound ID EHSZ0LRJECp
InChI InChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)16-22(25-6)17-24(23)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKey CDVBDSFNLFHWSH-LCAIAVFMSA-N
Mol Weight 356.6 g/mol
Molecular Formula C24H36O2
Exact Mass 356.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfRBTwg1I18
Name Neogrifolin, 2me derivative
Comments Computed using HOSE algorithm
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Exact Mass 356.271530397 u
Formula C24H36O2
InChI InChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)16-22(25-6)17-24(23)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKey CDVBDSFNLFHWSH-LCAIAVFMSA-N
Molecular Weight 356.550 g/mol
SMILES C1(OC)=CC(OC)=C(C(=C1)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C