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Abyssinin III
SpectraBase Compound ID 933inM38Tyv
InChI InChI=1S/C25H28O6/c1-13(2)5-7-16-17(8-6-14(3)4)25(30)21(29)11-18(16)22-12-20(28)24-19(27)9-15(26)10-23(24)31-22/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3
InChIKey TVXYDDJFAOWCAE-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2suwCGGIUzH
Name Abyssinin III
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-13(2)5-7-16-17(8-6-14(3)4)25(30)21(29)11-18(16)22-12-20(28)24-19(27)9-15(26)10-23(24)31-22/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3
InChIKey TVXYDDJFAOWCAE-UHFFFAOYSA-N
Molecular Weight 424.493 g/mol
SMILES Oc1c(c(c(c(C2CC(c3c(cc(cc3O2)O)O)=O)c1)CC=C(C)C)CC=C(C)C)O
SPLASH splash10-0udi-0905400000-4a59ca55a91f09c03f10
Source of Spectrum G4-59-1116-3
Synonyms 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one 2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one 2-[2,3-bis(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Wiley ID 1606571