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(3S)-7,2'-dihydroxy-4'-methoxyisoflavan

View entire compound with spectra: 3 MS (GC)

(3S)-7,2'-dihydroxy-4'-methoxyisoflavan
SpectraBase Compound ID 8ZuClwzKyBB
InChI InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1
InChIKey XRVFNNUXNVWYTI-LLVKDONJSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Efn2cbbRmpt
Name (+-)-Vestitol
Alternate Name(s) (3S)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol (3S)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (3S)-3-(4-methoxy-2-oxidanyl-phenyl)-3,4-dihydro-2H-chromen-7-ol
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Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1
InChIKey XRVFNNUXNVWYTI-LLVKDONJSA-N
Molecular Weight 272.300 g/mol
SMILES Oc1c([C@]2(COc3cc(ccc3C2)O)[H])ccc(c1)OC
SPLASH splash10-0udr-0920000000-966e9e70273115fcfb12
Source of Spectrum E1-40-2455-6
Wiley ID 1519714