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BRANDISIANIN_A

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

BRANDISIANIN_A
SpectraBase Compound ID AEraQZDvfAY
InChI InChI=1S/C22H22O7/c1-12(2)5-6-28-19-10-17(26-3)14(9-18(19)27-4)15-11-29-20-8-13(23)7-16(24)21(20)22(15)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey VFNNZAGIIRJDBX-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 FFYOO75Daev
Name BRANDISIANIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-12(2)5-6-28-19-10-17(26-3)14(9-18(19)27-4)15-11-29-20-8-13(23)7-16(24)21(20)22(15)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey VFNNZAGIIRJDBX-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 31160
Solvent CDCl3