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AGGREGATIN_D;1,3'-DIHYDROXY-3'-METHYL-3-PRENYL-2',3'-DIHYDRONAPHTHO-[1.2-B]-OXEPIN-4-(1-H)-ONE
SpectraBase Compound ID Lt9nNhjZMqx
InChI InChI=1S/C20H22O4/c1-13(2)8-9-15-17-10-11-19(3,22)12-24-20(17,23)16-7-5-4-6-14(16)18(15)21/h4-8,10-11,22-23H,9,12H2,1-3H3/t19-,20-/m1/s1
InChIKey BJLMWJSWPNCFMC-WOJBJXKFSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkL4Gwhp6k4
Name AGGREGATIN_D;1,3'-DIHYDROXY-3'-METHYL-3-PRENYL-2',3'-DIHYDRONAPHTHO-[1.2-B]-OXEPIN-4-(1-H)-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-13(2)8-9-15-17-10-11-19(3,22)12-24-20(17,23)16-7-5-4-6-14(16)18(15)21/h4-8,10-11,22-23H,9,12H2,1-3H3/t19-,20-/m1/s1
InChIKey BJLMWJSWPNCFMC-WOJBJXKFSA-N
Literature Reference Author M.H.VERDAN,A.BARISON,E.L.DESA,M.J.SALVADOR,C.B.POLIQUESI,M.N .EBERLIN,M.E.A.STEFA
Literature Reference Citation J.NAT.PROD.,73,1434(2010)
Literature Reference DOI 10.1021/np1002466
Molecular Weight 326.392 g/mol
Sample ID 36256
Solvent C6D6