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SHOGASULFONIC-ACID-B;5-SULFONYL-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(3,4-DIHYDROXYPHENYL)-HEPTAN-3-ONE

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SHOGASULFONIC-ACID-B;5-SULFONYL-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(3,4-DIHYDROXYPHENYL)-HEPTAN-3-ONE
SpectraBase Compound ID 77FrWmUg4Qo
InChI InChI=1S/C20H24O8S/c1-28-20-11-14(5-9-18(20)23)2-6-15(21)12-16(29(25,26)27)7-3-13-4-8-17(22)19(24)10-13/h4-5,8-11,16,22-24H,2-3,6-7,12H2,1H3,(H,25,26,27)
InChIKey YHSDFQBXPYLYMP-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C20H24O8S
Exact Mass 424.119189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZKDpSXMfUG
Name SHOGASULFONIC-ACID-B;5-SULFONYL-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(3,4-DIHYDROXYPHENYL)-HEPTAN-3-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24O8S
InChI InChI=1S/C20H24O8S/c1-28-20-11-14(5-9-18(20)23)2-6-15(21)12-16(29(25,26)27)7-3-13-4-8-17(22)19(24)10-13/h4-5,8-11,16,22-24H,2-3,6-7,12H2,1H3,(H,25,26,27)
InChIKey YHSDFQBXPYLYMP-UHFFFAOYSA-N
Literature Reference Author Y.HORI,T.MIURA,Y.HIRAI,M.FUKUMURA,Y.NEMOTO,K.TORIIZUKA,Y.IDA
Literature Reference Citation PHYTOCHEM.,62,613(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00618-0
Molecular Weight 424.466 g/mol
Solvent CD3OD
Source File Reference UWVN26885