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Glycocitrine-IV

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

Glycocitrine-IV
SpectraBase Compound ID Lx8coSAYtHg
InChI InChI=1S/C20H21NO5/c1-10(2)8-9-12-18(24)14-16(20(26-4)19(12)25)21(3)15-11(17(14)23)6-5-7-13(15)22/h5-8,22,24-25H,9H2,1-4H3
InChIKey GKBPFZFFEMNSRA-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASvHdhwwZ3k
Name Glycocitrine-IV
Alternate Name(s) 1,3,5-trihydroxy-4-methoxy-10-methyl-2-(3-methylbut-2-enyl)-9-acridinone 4-Methoxy-10-methyl-2-(3-methylbut-2-enyl)-1,3,5-tris(oxidanyl)acridin-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-10(2)8-9-12-18(24)14-16(20(26-4)19(12)25)21(3)15-11(17(14)23)6-5-7-13(15)22/h5-8,22,24-25H,9H2,1-4H3
InChIKey GKBPFZFFEMNSRA-UHFFFAOYSA-N
Molecular Weight 355.390 g/mol
SMILES Oc1cccc2c1N(c1c(c(c(c(c1OC)O)CC=C(C)C)O)C2=O)C
SPLASH splash10-0a4l-0029000000-d3fba48af2205d4549d4
Source of Spectrum E2-48-69-3
Wiley ID 1555073