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12-hydroxy-13,19-didehydrosenecionan-11,16-dione
SpectraBase Compound ID JEm8xcHbzj7
InChI InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1
InChIKey FCEVNJIUIMLVML-QPSVUOIXSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnoeRxYikHe
Name Seneciphylline
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO5
GC Oven Program Oven temp 280oC
InChI InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1
InChIKey FCEVNJIUIMLVML-QPSVUOIXSA-N
Instrument Name HP 6980-5972
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200603
Molecular Weight 333.384 g/mol
SMILES O[C@]1(C(OCC2=CCN3[C@]2([C@@](CC3)(OC(\C(CC1=C)=C/C)=O)[H])[H])=O)C
SPLASH splash10-0076-7900000000-97dfc192f11a36fe8333
Source of Spectrum CBD-19-SM3-Seneciphylline
Wiley ID 1880603