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Paratocarpin F
SpectraBase Compound ID L73FWjrRcOK
InChI InChI=1S/C25H26O5/c1-24(2)12-11-16-13-15(6-9-20(16)30-24)5-8-19(26)17-7-10-21-18(23(17)27)14-22(29-21)25(3,4)28/h5-13,22,27-28H,14H2,1-4H3/b8-5+
InChIKey LCVFSTYKCUWPRP-VMPITWQZSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdjZDmLKVZO
Name Paratocarpin F
Alternate Name(s) (E)-3-(2,2-dimethyl-1-benzopyran-6-yl)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl]-2-propen-1-one (E)-3-(2,2-dimethylchromen-6-yl)-1-[4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]prop-2-en-1-one (E)-3-(2,2-dimethylchromen-6-yl)-1-[4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)coumaran-5-yl]prop-2-en-1-one (E)-3-(2,2-dimethylchromen-6-yl)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one (E)-3-(2,2-dimethylchromen-6-yl)-1-[4-oxidanyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
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Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-24(2)12-11-16-13-15(6-9-20(16)30-24)5-8-19(26)17-7-10-21-18(23(17)27)14-22(29-21)25(3,4)28/h5-13,22,27-28H,14H2,1-4H3/b8-5+
InChIKey LCVFSTYKCUWPRP-VMPITWQZSA-N
Molecular Weight 406.478 g/mol
SMILES OC(C1Oc2c(c(c(cc2)C(\C=C\c2cc3C=CC(Oc3cc2)(C)C)=O)O)C1)(C)C
SPLASH splash10-0006-0209100000-6026f603ae2cb6b08201
Source of Spectrum H1-41-2323-1
Wiley ID 757416