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BRANDISIANIN_C

View entire compound with spectra: 1 NMR, and 1 MS (GC)

BRANDISIANIN_C
SpectraBase Compound ID IlWp2mj8MY7
InChI InChI=1S/C22H22O7/c1-11(2)5-6-12-15(23)8-17(25)20-21(26)14(10-29-22(12)20)13-7-19(28-4)16(24)9-18(13)27-3/h5,7-10,23-25H,6H2,1-4H3
InChIKey NIJHLDLKJBWHOF-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Y8z8kBzEt6
Name BRANDISIANIN_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-11(2)5-6-12-15(23)8-17(25)20-21(26)14(10-29-22(12)20)13-7-19(28-4)16(24)9-18(13)27-3/h5,7-10,23-25H,6H2,1-4H3
InChIKey NIJHLDLKJBWHOF-UHFFFAOYSA-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 398.412 g/mol
Sample ID 31161
Solvent ACETONE-D6