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FREMONTONE
SpectraBase Compound ID AnBVySYZLXG
InChI InChI=1S/C25H26O6/c1-6-25(4,5)18-11-16(22(28)15(23(18)29)8-7-13(2)3)17-12-31-20-10-14(26)9-19(27)21(20)24(17)30/h6-7,9-12,26-29H,1,8H2,2-5H3
InChIKey DKOOBSCWJFTXKX-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 5X5L6ewHoBA
Name 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O6
InChI InChI=1S/C25H26O6/c1-6-25(4,5)18-11-16(22(28)15(23(18)29)8-7-13(2)3)17-12-31-20-10-14(26)9-19(27)21(20)24(17)30/h6-7,9-12,26-29H,1,8H2,2-5H3
InChIKey DKOOBSCWJFTXKX-UHFFFAOYSA-N
Molecular Weight 422.477 g/mol
SMILES Oc1cc(c2C(C(c3cc(c(c(c3O)CC=C(C)C)O)C(C=C)(C)C)=COc2c1)=O)O
SPLASH splash10-0fk9-0495300000-c778b1ae0a07dd9e695f
Source of Spectrum X2-52-771-2
Synonyms 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one 3-[5-(1,1-dimethylallyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one 3-[5-(1,1-dimethylallyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromone 3-[5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one Fremontone
Wiley ID 1603141