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(.+/-.)-mahanine, acetate

View entire compound with spectra: 1 NMR

(.+/-.)-mahanine, acetate
SpectraBase Compound ID 1wXWqch2nmV
InChI InChI=1S/C25H27NO3/c1-15(2)7-6-11-25(5)12-10-20-23-21(13-16(3)24(20)29-25)19-9-8-18(28-17(4)27)14-22(19)26-23/h7-10,12-14,26H,6,11H2,1-5H3
InChIKey JSDNQIHJIGRQIU-UHFFFAOYSA-N
Mol Weight 389.5 g/mol
Molecular Formula C25H27NO3
Exact Mass 389.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cDt0VWBv4A
Name (.+/-.)-mahanine, acetate
Comments Computed using HOSE algorithm
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Exact Mass 389.199093730 u
Formula C25H27NO3
InChI InChI=1S/C25H27NO3/c1-15(2)7-6-11-25(5)12-10-20-23-21(13-16(3)24(20)29-25)19-9-8-18(28-17(4)27)14-22(19)26-23/h7-10,12-14,26H,6,11H2,1-5H3
InChIKey JSDNQIHJIGRQIU-UHFFFAOYSA-N
Molecular Weight 389.495 g/mol
SMILES C1=C(C=C2NC=3C(C2=C1)=CC(=C1C3C=CC(O1)(CCC=C(C)C)C)C)OC(=O)C