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CYTOSPORONE_I;3,5-DIHYDROXY-2-(2',3'-EPOXY-1-OXOOCTA-4'-E-ENYL)-BENZENEACETIC_ACID_ETHYLESTER
SpectraBase Compound ID 3SGobHuyTQ
InChI InChI=1S/C18H22O6/c1-3-5-6-7-14-18(24-14)17(22)16-11(9-15(21)23-4-2)8-12(19)10-13(16)20/h6-8,10,14,18-20H,3-5,9H2,1-2H3/b7-6+
InChIKey WBKSAYQFOVQAJV-VOTSOKGWSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DX1wY1BnojN
Name CYTOSPORONE_I;3,5-DIHYDROXY-2-(2',3'-EPOXY-1-OXOOCTA-4'-E-ENYL)-BENZENEACETIC_ACID_ETHYLESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-3-5-6-7-14-18(24-14)17(22)16-11(9-15(21)23-4-2)8-12(19)10-13(16)20/h6-8,10,14,18-20H,3-5,9H2,1-2H3/b7-6+
InChIKey WBKSAYQFOVQAJV-VOTSOKGWSA-N
Literature Reference Author P.A.PARANAGAMA,E.M.K.WIJERATNE,A.A.L.GUNATILAKA
Literature Reference Citation J.NAT.PROD.,70,1939(2007)
Literature Reference DOI 10.1021/np070504b
Molecular Weight 334.369 g/mol
Sample ID 31193
Solvent ACETONE-D6