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BRANDISIANIN_B

View entire compound with spectra: 1 NMR, and 2 MS (GC)

BRANDISIANIN_B
SpectraBase Compound ID 5xLuHDXhbSZ
InChI InChI=1S/C22H20O7/c1-10(2)16-6-12-18(29-16)8-15(24)20-21(25)13(9-28-22(12)20)11-5-19(27-4)14(23)7-17(11)26-3/h5,7-9,16,23-24H,1,6H2,2-4H3/t16-/m1/s1
InChIKey VIMHZMOJYABXJB-MRXNPFEDSA-N
Mol Weight 396.4 g/mol
Molecular Formula C22H20O7
Exact Mass 396.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNPxrTiv6cT
Name BRANDISIANIN_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20O7
InChI InChI=1S/C22H20O7/c1-10(2)16-6-12-18(29-16)8-15(24)20-21(25)13(9-28-22(12)20)11-5-19(27-4)14(23)7-17(11)26-3/h5,7-9,16,23-24H,1,6H2,2-4H3/t16-/m1/s1
InChIKey VIMHZMOJYABXJB-MRXNPFEDSA-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 396.397 g/mol
Sample ID 31163
Solvent CDCl3