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BIDWILLOL-A
SpectraBase Compound ID DziZRymX81V
InChI InChI=1S/C21H22O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-11,22-23H,7,12H2,1-3H3
InChIKey CBCNITCGKSLSCT-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ft4RCncxa3
Name 3'-(.gamma,.gamma.-Dimethylallyl)-7,4'-dohydroxy-2'-methoxyisoflav-3-ene (bidwillol A)
Alternate Name(s) 3'-(.gamma,.gamma.-Dimethylallyl)-7,4'-dihydroxy-2'-methoxyisoflav-3-ene (bidwillol A) 3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2H-1-benzopyran-7-ol 3-[2-methoxy-3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-2H-chromen-7-ol
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-11,22-23H,7,12H2,1-3H3
InChIKey CBCNITCGKSLSCT-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES Oc1c(c(c(C=2COc3cc(ccc3C2)O)cc1)OC)CC=C(C)C
SPLASH splash10-000i-0179000000-fef55558e855519582e4
Source of Spectrum H1-39-691-2
Wiley ID 756750