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5-Methoxy-8,8-dimethyl-10-[(2E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one
SpectraBase Compound ID Fv4ZQ6jwZiF
InChI InChI=1S/C26H24O5/c1-6-15(2)22(28)21-24-17(12-13-26(3,4)31-24)23(29-5)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+
InChIKey SOLNITJBOXPFJO-GIDUJCDVSA-N
Mol Weight 416.47 g/mol
Molecular Formula C26H24O5
Exact Mass 416.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHIFiDs497W
Name 5-Methoxy-8,8-dimethyl-10-[(2E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one
Alternate Name(s) Apetalolide (E)-5-methoxy-8,8-dimethyl-10-(2-methylbut-2-enoyl)-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O5
InChI InChI=1S/C26H24O5/c1-6-15(2)22(28)21-24-17(12-13-26(3,4)31-24)23(29-5)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+
InChIKey SOLNITJBOXPFJO-GIDUJCDVSA-N
Literature Reference DOI 10.1002/hlca.200900469
Molecular Weight 416.473 g/mol
SMILES CC1(C)C=Cc2c(c3C(=CC(Oc3c(c2O1)C(\C(=C\C)C)=O)=O)c1ccccc1)OC
SPLASH splash10-0uk9-0009800000-15aa7cb50cbe6f1d295e
Source of Spectrum H-93-1820-7
Wiley ID 1784166