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C-3-EPI-WILSONIONE;1,2-DIDEHYDRO-6,7-EPOXY-3-ALPHA,16,17-TRIMETHOXYERYTHRINAN-8-ONE
SpectraBase Compound ID yqXj9j4xsD
InChI InChI=1S/C20H23NO5/c1-23-13-6-7-20-17(26-20)18(22)21-8-4-5-12-9-15(24-2)16(25-3)10-14(12)19(20,21)11-13/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3/t13-,17-,19?,20-/m0/s1
InChIKey POQQNJBRHJXAIN-KFLQCAKHSA-N
Mol Weight 357.41 g/mol
Molecular Formula C20H23NO5
Exact Mass 357.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNfYelTZRGG
Name 1,2-Didehydro-6,7-epoxy-3.alpha.,16,17-trimethoxyerythrinan-8-one
Appearance Colorless powder
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Formula C20H23NO5
InChI InChI=1S/C20H23NO5/c1-23-13-6-7-20-17(26-20)18(22)21-8-4-5-12-9-15(24-2)16(25-3)10-14(12)19(20,21)11-13/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3/t13-,17-,19?,20-/m0/s1
InChIKey POQQNJBRHJXAIN-KFLQCAKHSA-N
Instrument Name JMS-HX 100
Ionization Type EI
Literature Reference DOI 10.1021/np0498657
Molecular Weight 357.406 g/mol
Optical Rotation [a]D28 = +11 (c = 0.104, CHCl3)
Reported Formula C20H23NO5
SMILES c1(cc2c(cc1OC)C13N(CCC2)C([C@]2([C@]3(C=C[C@@](C1)(OC)[H])O2)[H])=O)OC
SPLASH splash10-0a4l-0019000000-e2062d2f349ed967c234
Source of Spectrum G4-67-1184-1
Wiley ID 1881847