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Allocryptopine

View entire compound with spectra: 4 NMR, 1 FTIR, and 6 MS (GC)

Allocryptopine
SpectraBase Compound ID 9zthlNmJfWg
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
InChIKey HYBRYAPKQCZIAE-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QJZOFBLCdn
Name 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one
Alternate Name(s) .alpha.-Allocryptopine .alpha.-Fagarine .beta.-Homochelidonine 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one Allocryptopin Allocryptopine Allocrytopine Taliktrimin Taliktrimin (thalictrimine) Thalictrimine [1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl- EINECS 207-626-5 NSC 404531
CAS Registry Number 485-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
InChIKey HYBRYAPKQCZIAE-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES c12c(CC(c3cc4OCOc4cc3CCN(C2)C)=O)ccc(c1OC)OC
SPLASH splash10-03di-2930000000-015ba5d0d84a2a0a550d
Wiley ID 1509352