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BRANDISIANIN_E
SpectraBase Compound ID JS890XDrJAh
InChI InChI=1S/C22H22O8/c1-11(9-23)4-5-12-15(24)7-17(26)20-21(27)14(10-30-22(12)20)13-6-19(29-3)16(25)8-18(13)28-2/h4,6-8,10,23-26H,5,9H2,1-3H3/b11-4+
InChIKey NQIJCWMTBNAWNQ-NYYWCZLTSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GWLJkNC320
Name BRANDISIANIN_E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-11(9-23)4-5-12-15(24)7-17(26)20-21(27)14(10-30-22(12)20)13-6-19(29-3)16(25)8-18(13)28-2/h4,6-8,10,23-26H,5,9H2,1-3H3/b11-4+
InChIKey NQIJCWMTBNAWNQ-NYYWCZLTSA-N
Literature Reference Author H.KIKUCHI,T.OHTSUKI,T.KOYANO,T.KOWITHAYAKORN,T.SAKAI,M.ISHIB ASHI
Literature Reference Citation J.NAT.PROD.,70,1910(2007)
Literature Reference DOI 10.1021/np0703904
Molecular Weight 414.412 g/mol
Sample ID 31162
Solvent ACETONE-D6