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(2S,2"S) 2-(2',4'-Dihydroxyphenyl)- 5,7-dihydroxy-6-[6"-methyl-2"-isopropenyl-4"-hexen-1"-yl]-2,3-dihydrobenzopyran-4(4H)-one

View entire compound with spectra: 1 MS (GC)

(2S,2"S) 2-(2',4'-Dihydroxyphenyl)- 5,7-dihydroxy-6-[6"-methyl-2"-isopropenyl-4"-hexen-1"-yl]-2,3-dihydrobenzopyran-4(4H)-one
SpectraBase Compound ID LQ0HUcp6ECR
InChI InChI=1S/C25H28O6/c1-4-5-6-15(9-14(2)3)10-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-8-7-16(26)11-19(17)27/h4-5,7-8,11-12,15,22,26-28,30H,2,6,9-10,13H2,1,3H3/b5-4+/t15-,22-/m0/s1
InChIKey CALKXLCNADYTMK-AFRPKSQESA-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 KTdDxqPIJXs
Name (2S,2"S) 2-(2',4'-Dihydroxyphenyl)- 5,7-dihydroxy-6-[6"-methyl-2"-isopropenyl-4"-hexen-1"-yl]-2,3-dihydrobenzopyran-4(4H)-one
Alternate Name(s) (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4E)-2-(2-methyl-2-propenyl)-4-hexenyl]-2,3-dihydro-4H-chromen-4-one 2-(2',4'-Dihydroxyphenyl)- 5,7-dihydroxy-6-[6''-methyl-2''-isopropenyl-4''-hexen-1''-yl]-2,3-dihydrobenzopyran-4(4H)-one Vexibinol
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Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-4-5-6-15(9-14(2)3)10-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-8-7-16(26)11-19(17)27/h4-5,7-8,11-12,15,22,26-28,30H,2,6,9-10,13H2,1,3H3/b5-4+/t15-,22-/m0/s1
InChIKey CALKXLCNADYTMK-AFRPKSQESA-N
Molecular Weight 424.493 g/mol
SMILES Oc1ccc(c(c1)O)[C@@]1(CC(c2c(c(C[C@](CC(=C)C)(C\C=C\C)[H])c(cc2O1)O)O)=O)[H]
SPLASH splash10-0uxr-0639300000-1a20153704ca27b2ac45
Source of Spectrum X4-21-36-0
Wiley ID 1585797