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CYTOSPORONE_H;3,5-DIHYDROXY-2-(7'-R-HYROXY-1'-OXOOCTA-2'-E,4'-E-DIENYL)-BENZENEACETIC_ACID_ETHYLESTER
SpectraBase Compound ID 3xhwqjxNA28
InChI InChI=1S/C18H22O6/c1-3-24-17(23)10-13-9-14(20)11-16(22)18(13)15(21)8-6-4-5-7-12(2)19/h4-6,8-9,11-12,19-20,22H,3,7,10H2,1-2H3/b5-4+,8-6+/t12-/m0/s1
InChIKey QVACWFLAVQMDNR-QFGJERFKSA-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 DZMPSW6DxzZ
Name CYTOSPORONE_H;3,5-DIHYDROXY-2-(7'-R-HYROXY-1'-OXOOCTA-2'-E,4'-E-DIENYL)-BENZENEACETIC_ACID_ETHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-3-24-17(23)10-13-9-14(20)11-16(22)18(13)15(21)8-6-4-5-7-12(2)19/h4-6,8-9,11-12,19-20,22H,3,7,10H2,1-2H3/b5-4+,8-6+/t12-/m0/s1
InChIKey QVACWFLAVQMDNR-QFGJERFKSA-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 31192
Solvent ACETONE-D6