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CYTOSPORONE_F;3,5-DIHYDROXY-2-(1'-OXOOCTA-2'-E,4'-E-DIENYL)-BENZENEACETIC_ACID_ETHYLESTER
SpectraBase Compound ID FATfruxiUrm
InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h6-10,12,19,21H,3-5,11H2,1-2H3/b7-6+,9-8+
InChIKey KQWFRRUUTPESMK-BLHCBFLLSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ErnDLQjsUD
Name CYTOSPORONE_F;3,5-DIHYDROXY-2-(1'-OXOOCTA-2'-E,4'-E-DIENYL)-BENZENEACETIC_ACID_ETHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h6-10,12,19,21H,3-5,11H2,1-2H3/b7-6+,9-8+
InChIKey KQWFRRUUTPESMK-BLHCBFLLSA-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 318.370 g/mol
Sample ID 31190
Solvent CDCl3