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Aciculatinone
SpectraBase Compound ID C7os8Q0aGbX
InChI InChI=1S/C22H20O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,18,21,23,25,27H,9H2,1-2H3/t10-,18-,21-/m1/s1
InChIKey CFHMTDWOLGJZEJ-LMCQJGHKSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzyWedvRy4d
Name ACICULATINONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,18,21,23,25,27H,9H2,1-2H3/t10-,18-,21-/m1/s1
InChIKey CFHMTDWOLGJZEJ-LMCQJGHKSA-N
Literature Reference Author C.C.SHEN,J.J.CHENG,H.L.LAY,S.Y.WU,C.L.NI,C.M.TENG,C.C.CHEN
Literature Reference Citation J.NAT.PROD.,75,198(2012)
Literature Reference DOI 10.1021/np2007796
Molecular Weight 412.396 g/mol
Sample ID 40014
Solvent ACETONE-D6