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9-ACETOXY-[3,4:3',4']-BIS-METHYLENEDIOXY-7,9'-EPOXY-LIGNAN;(7S,8R,8'R)-9-O-ACETYLDIHYDRO-SESAMIN
SpectraBase Compound ID 5EgB1uIhoJR
InChI InChI=1S/C22H22O7/c1-13(23)24-10-17-16(6-14-2-4-18-20(7-14)28-11-26-18)9-25-22(17)15-3-5-19-21(8-15)29-12-27-19/h2-5,7-8,16-17,22H,6,9-12H2,1H3/t16-,17-,22+/m0/s1
InChIKey YXTPTAIGIJPTGR-PNLZDCPESA-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 3Arvt54VFup
Name 9-ACETOXY-[3,4:3',4']-BIS-METHYLENEDIOXY-7,9'-EPOXY-LIGNAN;(7S,8R,8'R)-9-O-ACETYLDIHYDRO-SESAMIN
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/c1-13(23)24-10-17-16(6-14-2-4-18-20(7-14)28-11-26-18)9-25-22(17)15-3-5-19-21(8-15)29-12-27-19/h2-5,7-8,16-17,22H,6,9-12H2,1H3/t16-,17-,22+/m0/s1
InChIKey YXTPTAIGIJPTGR-PNLZDCPESA-N
Literature Reference Author M.KUROYANAGI,R.IKEDA,H.Y.GAO,N.MUTO,K.OTAKI,T.SANO,N.KAWAHAR A,T.NAKANE
Literature Reference Citation CHEM.PHARM.BULL.,56,60(2008)
Literature Reference DOI 10.1248/cpb.56.60
Molecular Weight 398.412 g/mol
Sample ID 1209
Solvent CDCl3