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Glyasperin J
SpectraBase Compound ID 9QMO0isXeLL
InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-19(27)11-20(28)21-22(29)17(12-30-24(15)21)14-7-8-18(26)16-9-10-25(3,4)31-23(14)16/h5,7-11,17,26-28H,6,12H2,1-4H3
InChIKey FIYVYQFNWRYZHD-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C25H26O6
Exact Mass 422.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Uke3vKddT7
Name Glyasperin J
Alternate Name(s) 5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-19(27)11-20(28)21-22(29)17(12-30-24(15)21)14-7-8-18(26)16-9-10-25(3,4)31-23(14)16/h5,7-11,17,26-28H,6,12H2,1-4H3
InChIKey FIYVYQFNWRYZHD-UHFFFAOYSA-N
Molecular Weight 422.477 g/mol
SMILES Oc1c2c(c(C3C(c4c(cc(c(c4OC3)CC=C(C)C)O)O)=O)cc1)OC(C=C2)(C)C
SPLASH splash10-00di-0201900000-84d1deef4938ae286894
Source of Spectrum H1-34-1826-5
Wiley ID 754674