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Chelidonine, 5-demethyl-, (.+-.)-
SpectraBase Compound ID ozQbwVagKb
InChI InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m0/s1
InChIKey DBJHCHBDQALOAS-DOPJRALCSA-N
Mol Weight 339.35 g/mol
Molecular Formula C19H17NO5
Exact Mass 339.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeeOWv9AcFH
Name Chelidonine, 5-demethyl-, (.+-.)-
CAS Registry Number 33458-80-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO5
InChI InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m0/s1
InChIKey DBJHCHBDQALOAS-DOPJRALCSA-N
Molecular Weight 339.347 g/mol
SMILES N1Cc2c3c(ccc2[C@]2([C@](Cc4c([C@@]12[H])cc1c(c4)OCO1)(O)[H])[H])OCO3
SPLASH splash10-022m-0429000000-51c4b5558f07d6e44148
Source of Spectrum H-66-1127-0
Synonyms (.+-.)-N-Demethylchelidonine (.+-.)-Norchelidonine (5bR,6S,12bS)-5b,6,7,12b,13,14-hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol Chelidonine, 13-demethyl-, (.+-.)- [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine, chelidonine deriv.
Wiley ID 1334481