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(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 6ecBGzGV2b5
Name (3S)-7,2'-dihydroxy-4'-methoxyisoflavan
Alternate Name(s) (3S)-Vestitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Instrument Name Hewlett-Packard 5890 series II-5989B
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4468
Molecular Weight 272.300 g/mol
SMILES Oc1ccc2c(OC[C@](c3c(cc(cc3)OC)O)(C2)[H])c1
SPLASH splash10-0udi-0910000000-61be0bba108b4544ee51
Source of Spectrum SFA-91-2366-(3S)-Vestitol
Wiley ID 1838624