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GALLICYNOIC_ACID_G;5-S,8-R-DIHYDROXYDODEC-6-YNOIC_ACID
SpectraBase Compound ID CbLordJGBfh
InChI InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1
InChIKey FFERRNKFKPTEJW-MNOVXSKESA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CjOZgvRoON
Name GALLICYNOIC_ACID_G;5-S,8-R-DIHYDROXYDODEC-6-YNOIC_ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1
InChIKey FFERRNKFKPTEJW-MNOVXSKESA-N
Literature Reference Author Z.Y.ZHOU,F.WANG,J.G.TANG,L.Z.FANG,Z.J.DONG,J.K.LIU
Literature Reference Citation J.NAT.PROD.,71,223(2008)
Literature Reference DOI 10.1021/np070638p
Molecular Weight 228.288 g/mol
Sample ID 27453
Solvent CD3OD