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1,16-Cyclocorynan-17-oic acid, 19,20-didehydro-, methyl ester, (16S,19E)-
SpectraBase Compound ID 93P3pnlEUhm
InChI InChI=1S/C20H24N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,14-15,17,19,22H,8-11H2,1-2H3/b12-3+
InChIKey MJWJUGZLVLRFGF-KGVSQERTSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0oShrBPLdo
Name 1,16-Cyclocorynan-17-oic acid, 19,20-didehydro-, methyl ester, (16S,19E)-
CAS Registry Number 6393-66-4
Comments Note: The molecular formula of the structure shown is C20H24N2O2 - which differs from the formula reported for the mass spectrum (C20H22N2O2)
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Formula C20H22N2O2
InChI InChI=1S/C20H24N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,14-15,17,19,22H,8-11H2,1-2H3/b12-3+
InChIKey MJWJUGZLVLRFGF-KGVSQERTSA-N
Molecular Weight 324.424 g/mol
SMILES COC(=O)C1C2CC3C=4C(CCN3C\C2=C\C)c2c(N14)cccc2
SPLASH splash10-0230-0695000000-0290df5e60fcb6edd008
Source of Spectrum H-47-894-7
Synonyms Methyl (13Z)-13-ethylidene-1lambda(5),11-diazapentacyclo[12.3.1.0(2,7).0(8,17).0(11,16)]octadeca-1(17),2,4,6-tetraene-18-carboxylate Pardisol Pleiocarpamine Pleocarpamine NSC 374523
Wiley ID 1321953