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Aristotetranol
SpectraBase Compound ID JptJM3qqfc0
InChI InChI=1S/C21H24O5/c1-11-12(2)21(22)15-9-18(24-4)17(23-3)8-14(15)20(11)13-5-6-16-19(7-13)26-10-25-16/h5-9,11-12,20-22H,10H2,1-4H3/t11-,12-,20?,21+/m0/s1
InChIKey JFWINFODWGRQNJ-SBPQLEAJSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzrQyFhHxOU
Name Aristotetranol
Alternate Name(s) 1-Hydroxy-2,3-dimethyl-6,7-dimethoxy-4-[(3',4'-(methylenedioxy)phenyl]-1,2,3,4-tetrahydronaphthalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-11-12(2)21(22)15-9-18(24-4)17(23-3)8-14(15)20(11)13-5-6-16-19(7-13)26-10-25-16/h5-9,11-12,20-22H,10H2,1-4H3/t11-,12-,20?,21+/m0/s1
InChIKey JFWINFODWGRQNJ-SBPQLEAJSA-N
Molecular Weight 356.418 g/mol
SMILES O[C@]1(c2c(C([C@]([C@@]1(C)[H])(C)[H])c1cc3OCOc3cc1)cc(c(OC)c2)OC)[H]
SPLASH splash10-0a4r-0129000000-708cdca8911d570989e7
Source of Spectrum X2-51-121-7
Wiley ID 1602577