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Vaccihein A [methyl 2-(3,5-dimethoxy-4-hydroxybenzoyloxy)-4,6-dihydroxyphenyl acetate]
SpectraBase Compound ID CPyfQGvmjyA
InChI InChI=1S/C18H18O9/c1-24-14-4-9(5-15(25-2)17(14)22)18(23)27-13-7-10(19)6-12(20)11(13)8-16(21)26-3/h4-7,19-20,22H,8H2,1-3H3
InChIKey HTYXVCATPMWMSN-UHFFFAOYSA-N
Mol Weight 378.33 g/mol
Molecular Formula C18H18O9
Exact Mass 378.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6kHdOffesH
Name VACCIHEIN-A;METHYL-2-(3,5-DIMETHOXY-4-HYDROXYBENZOYLOXY)-4,6-DIHYDROXYPHENYL-ACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O9
InChI InChI=1S/C18H18O9/c1-24-14-4-9(5-15(25-2)17(14)22)18(23)27-13-7-10(19)6-12(20)11(13)8-16(21)26-3/h4-7,19-20,22H,8H2,1-3H3
InChIKey HTYXVCATPMWMSN-UHFFFAOYSA-N
Literature Reference Author M.ONO,C.MASUOKA,M.KOTO,M.TATEISHI,H.KOMATSU,H.KOBAYASHI,K.IG OSHI,Y.ITO,M.OKAWA,T
Literature Reference Citation CHEM.PHARM.BULL.,50,1416(2002)
Literature Reference DOI 10.1248/cpb.50.1416
Molecular Weight 378.336 g/mol
Solvent DMSO-D6
Source File Reference UWMS20201