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JERANTIPHYLLINE-B
SpectraBase Compound ID 7Le40pm2inE
InChI InChI=1S/C22H28N2O6/c1-4-21(12-16(26)18(27)30-3)6-5-8-24-9-7-22(19(21)24)13-10-15(25)17(29-2)11-14(13)23-20(22)28/h10-12,19,25-26H,4-9H2,1-3H3,(H,23,28)/b16-12-/t19-,21-,22+/m0/s1
InChIKey VSRDFIMERYCSAX-NLPWEGJLSA-N
Mol Weight 416.47 g/mol
Molecular Formula C22H28N2O6
Exact Mass 416.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1j8GakDYRSe
Name (Z)-methyl 3-((1'R,8'S,8a'S)-8'-ethyl-5-hydroxy-6-methoxy-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-8'-yl)-2-hydroxyacrylate
Alternate Name(s) Jerantiphylline B Methyl (Z)-3-((3R,8'S,8a'S)-8'-ethyl-5-hydroxy-6-methoxy-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-8'-yl)-2-hydroxyacrylate
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Formula C22H28N2O6
InChI InChI=1S/C22H28N2O6/c1-4-21(12-16(26)18(27)30-3)6-5-8-24-9-7-22(19(21)24)13-10-15(25)17(29-2)11-14(13)23-20(22)28/h10-12,19,25-26H,4-9H2,1-3H3,(H,23,28)/b16-12-/t19-,21-,22+/m0/s1
InChIKey VSRDFIMERYCSAX-NLPWEGJLSA-N
Molecular Weight 416.474 g/mol
SMILES N1C([C@]2(c3c1cc(c(c3)O)OC)[C@@]1([C@](\C=C/(O)C(=O)OC)(CCCN1CC2)CC)[H])=O
SPLASH splash10-00xr-0911600000-0ee7f9158926855bd5e0
Source of Spectrum Kuan-Hon Lim, et al. Phytochemistry, V. 70, 2009, P.424-429
Wiley ID 1817567