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Gelsemine, 1-methoxy-
SpectraBase Compound ID CgxmEg1OGDr
InChI InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3
InChIKey SSSCMFCWHWCCEH-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd4IJQe56Vn
Name Gelsemine, 1-methoxy-
Alternate Name(s) 1-Methoxygelsemine Alkaloid A, from Gelsemium sempervirens Gelsevirine
CAS Registry Number 55856-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3
InChIKey SSSCMFCWHWCCEH-UHFFFAOYSA-N
Molecular Weight 352.434 g/mol
SMILES C12(C(N(OC)c3c2cccc3)=O)C2C3(CN(C2C2COC1CC32)C)C=C
SPLASH splash10-0230-0910000000-98232a2c04aa278ece7f
Source of Spectrum AH-105-1294-2
Wiley ID 1333869