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5'-(HYDROXYSULPHONYLOXY)-JASMONIC-ACID;1R,2R-(2'Z)-3-OXO-2-(5-HYDROXYSULPHONYLOXY-2-PENTENYL)-CYCLOPENTANE-ACETIC-ACID
SpectraBase Compound ID 5gARSkwebBL
InChI InChI=1S/C12H18O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h1-2,9-10H,3-8H2,(H,14,15)(H,16,17,18)/b2-1-/t9-,10-/m1/s1
InChIKey MLUJBNROAVANKK-BSANDHCLSA-N
Mol Weight 306.33 g/mol
Molecular Formula C12H18O7S
Exact Mass 306.077324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69j52I8A6vH
Name 5'-(HYDROXYSULPHONYLOXY)-JASMONIC-ACID;1R,2R-(2'Z)-3-OXO-2-(5-HYDROXYSULPHONYLOXY-2-PENTENYL)-CYCLOPENTANE-ACETIC-ACID
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O7S
InChI InChI=1S/C12H18O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h1-2,9-10H,3-8H2,(H,14,15)(H,16,17,18)/b2-1-/t9-,10-/m1/s1
InChIKey MLUJBNROAVANKK-BSANDHCLSA-N
Literature Reference Author H.ACHENBACH,H.HUEBNER,W.BRANDT,M.REITER
Literature Reference Citation PHYTOCHEM.,35,1527(1994)
Literature Reference DOI 10.1016/S0031-9422(00)86890-9
Molecular Weight 306.331 g/mol
Solvent CD3OD
Source File Reference UWLU25303