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5,6-DIHYDROXY-2-METHYL-2-[(3',7'E)-4',8',12'-TRIMETHYL-TRIDECA-3',7',11'-TRIEN]-2(H)-CHROMENE
SpectraBase Compound ID LG8a6Hzb0Yu
InChI InChI=1S/C26H36O3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-17-26(5)18-16-22-24(29-26)15-14-23(27)25(22)28/h9,11,13-16,18,27-28H,6-8,10,12,17H2,1-5H3/b20-11+,21-13+
InChIKey HDKOYWYEMWGKBR-VZLKJUJQSA-N
Mol Weight 396.6 g/mol
Molecular Formula C26H36O3
Exact Mass 396.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BixhSfO6Hyj
Name 5,6-Dihydroxy-2-methyl-2-[(3',7'-E)-4',8',12'-trimethyltrideca-3',7',11'-triene]-2H-chromene
Alternate Name(s) 2-Methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1-benzopyran-5,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O3
InChI InChI=1S/C26H36O3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-17-26(5)18-16-22-24(29-26)15-14-23(27)25(22)28/h9,11,13-16,18,27-28H,6-8,10,12,17H2,1-5H3/b20-11+,21-13+
InChIKey HDKOYWYEMWGKBR-VZLKJUJQSA-N
Molecular Weight 396.571 g/mol
SMILES Oc1c(ccc2OC(C=Cc12)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)O
SPLASH splash10-004i-3900000000-f6fa929ade9165644032
Source of Spectrum X2-52-945-6
Wiley ID 1603263