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Senecionine
SpectraBase Compound ID 7jSizhe0rUk
InChI InChI=1S/C18H25NO5/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/h4-5,11-12,14-15,22H,1,6-10H2,2-3H3/t11-,12?,14-,15-,18-/m1/s1
InChIKey USBFOOCLCNEJJT-ULUUBLAKSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GInWU0i0xCz
Name Senecionine
Alternate Name(s) (5R,6R,9a1R,14aR)-6-hydroxy-5,6-dimethyl-3-vinyl-3,4,5,6,9,9a1,11,13,14,14a-decahydro-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/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/h4-5,11-12,14-15,22H,1,6-10H2,2-3H3/t11-,12?,14-,15-,18-/m1/s1
InChIKey USBFOOCLCNEJJT-ULUUBLAKSA-N
Literature Reference DOI 10.1002/cbdv.201600155
Molecular Weight 335.400 g/mol
SMILES O[C@]1(C(OCC=2[C@@]3([C@](OC(C(C=C)C[C@]1(C)[H])=O)(CCN3CC2)[H])[H])=O)C
SPLASH splash10-00rl-4900000000-1758bd40f84d3ee54aab
Source of Spectrum CBD-14-8-13
Wiley ID 1806338