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Alstonerine
SpectraBase Compound ID BdQJLt3O0Ob
InChI InChI=1S/C21H24N2O2/c1-12(24)16-10-25-11-17-14(16)8-20-21-15(9-19(17)22(20)2)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3/t14-,17+,19-,20-/m0/s1
InChIKey PMIRJPWEIZTLEG-KTGNWYGMSA-N
Mol Weight 336.44 g/mol
Molecular Formula C21H24N2O2
Exact Mass 336.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Epr5DxvoGAe
Name Alstonerine
Alternate Name(s) Alstophyllan-19-one Alstonerin Alstophyllan-19-one, (all-.xi.)- Alstophylline, demethoxy- Ethanone, 1-(1,4a,5,6,7,12,13,13a-octahydro-7,14-dimethyl-6,13-iminopyrano[3',4':5,6]cyclooct[1,2-b]indol-4-yl)-
CAS Registry Number 25921-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O2
InChI InChI=1S/C21H24N2O2/c1-12(24)16-10-25-11-17-14(16)8-20-21-15(9-19(17)22(20)2)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3/t14-,17+,19-,20-/m0/s1
InChIKey PMIRJPWEIZTLEG-KTGNWYGMSA-N
Molecular Weight 336.435 g/mol
SMILES c12[n](c3ccccc3c2C[C@@]2(N([C@]1(C[C@]1(C(C(=O)C)=COC[C@@]21[H])[H])[H])C)[H])C
SPLASH splash10-00di-4900000000-9a3b8bd3c8d90dff9835
Source of Spectrum AD-0-3208-0
Wiley ID 50252