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SHOGASULFONIC-ACID-C;5-SULFONYL-1,7-BIS-(3,4-DIHYDROXYPHENYL)-HEPTAN-3-ONE
SpectraBase Compound ID 9tbyDClmm7C
InChI InChI=1S/C19H22O8S/c20-14(5-1-12-3-7-16(21)18(23)9-12)11-15(28(25,26)27)6-2-13-4-8-17(22)19(24)10-13/h3-4,7-10,15,21-24H,1-2,5-6,11H2,(H,25,26,27)
InChIKey IMDXRLLSWYZMEN-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C19H22O8S
Exact Mass 410.103539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EYUnItLv3b
Name SHOGASULFONIC-ACID-C;5-SULFONYL-1,7-BIS-(3,4-DIHYDROXYPHENYL)-HEPTAN-3-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O8S
InChI InChI=1S/C19H22O8S/c20-14(5-1-12-3-7-16(21)18(23)9-12)11-15(28(25,26)27)6-2-13-4-8-17(22)19(24)10-13/h3-4,7-10,15,21-24H,1-2,5-6,11H2,(H,25,26,27)
InChIKey IMDXRLLSWYZMEN-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 410.439 g/mol
Solvent CD3OD
Source File Reference UWVN26886