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(TRANS)-BETA,BETA'-GAMMA-LACTONE-DI-SA
SpectraBase Compound ID 1bOh8ipHGqe
InChI InChI=1S/C22H22O10/c1-28-13-6-10(7-14(29-2)18(13)23)5-12-17(21(25)26)20(32-22(12)27)11-8-15(30-3)19(24)16(9-11)31-4/h5-9,17,20,23-24H,1-4H3,(H,25,26)/b12-5+/t17-,20+/m1/s1
InChIKey WXQRGQMQFBJLPV-IGTJILSBSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNof4g2clFY
Name (TRANS)-BETA,BETA'-GAMMA-LACTONE-DI-SA
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-28-13-6-10(7-14(29-2)18(13)23)5-12-17(21(25)26)20(32-22(12)27)11-8-15(30-3)19(24)16(9-11)31-4/h5-9,17,20,23-24H,1-4H3,(H,25,26)/b12-5+/t17-,20+/m1/s1
InChIKey WXQRGQMQFBJLPV-IGTJILSBSA-N
Literature Reference Author D.ARRIETA-BAEZ,R.E.STARK
Literature Reference Citation PHYTOCHEM.,67,743(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.01.026
Molecular Weight 446.411 g/mol
Sample ID 66148
Solvent CD3OD