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SHOGASULFONIC-ACID-A;5-SULFONYL-1,7-BIS-(4-HYDROXY-3-METHOXY-PHENYL)-HEPTAN-3-ONE
SpectraBase Compound ID FJQsnKAx6lM
InChI InChI=1S/C21H26O8S/c1-28-20-11-14(5-9-18(20)23)3-7-16(22)13-17(30(25,26)27)8-4-15-6-10-19(24)21(12-15)29-2/h5-6,9-12,17,23-24H,3-4,7-8,13H2,1-2H3,(H,25,26,27)
InChIKey MWOFQBPRQXZTQC-UHFFFAOYSA-N
Mol Weight 438.49 g/mol
Molecular Formula C21H26O8S
Exact Mass 438.134839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K614sB72hrO
Name SHOGASULFONIC-ACID-A;5-SULFONYL-1,7-BIS-(4-HYDROXY-3-METHOXY-PHENYL)-HEPTAN-3-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O8S
InChI InChI=1S/C21H26O8S/c1-28-20-11-14(5-9-18(20)23)3-7-16(22)13-17(30(25,26)27)8-4-15-6-10-19(24)21(12-15)29-2/h5-6,9-12,17,23-24H,3-4,7-8,13H2,1-2H3,(H,25,26,27)
InChIKey MWOFQBPRQXZTQC-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 438.493 g/mol
Solvent CD3OD
Source File Reference UWVN26883