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Berbervirine
SpectraBase Compound ID 7PXokzskFYX
InChI InChI=1S/C21H21NO7/c1-22-7-6-11-8-15-16(29-10-28-15)9-13(11)18(22)19(23)12-4-5-14(26-2)20(27-3)17(12)21(24)25/h4-5,8-9,18H,6-7,10H2,1-3H3,(H,24,25)
InChIKey GJRNGHJRNCNOTD-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 140ZLED5mki
Name Berbervirine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c1-22-7-6-11-8-15-16(29-10-28-15)9-13(11)18(22)19(23)12-4-5-14(26-2)20(27-3)17(12)21(24)25/h4-5,8-9,18H,6-7,10H2,1-3H3,(H,24,25)
InChIKey GJRNGHJRNCNOTD-UHFFFAOYSA-N
Molecular Weight 399.399 g/mol
SMILES OC(c1c(C(C2c3c(cc4c(c3)OCO4)CCN2C)=O)ccc(c1OC)OC)=O
SPLASH splash10-0006-0941000000-a09a4dc82526b04864e9
Source of Spectrum G4-58-1101-1
Synonyms 2,3-Dimethoxy-6-[(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)carbonyl]benzoic acid N-Methyl-1-[2'-(hydroxycarbonyl)-3',4'-dimethoxybenzoyl]-6,7-(methylenedioxy)-1,2,3,4-tetrahydro-isoquinoline
Wiley ID 1605976