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5-(5'''-MATAIRESINOL)-NOR-TRACHELOGENIN

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5-(5'''-MATAIRESINOL)-NOR-TRACHELOGENIN
SpectraBase Compound ID IOQb69DDOW8
InChI InChI=1S/C40H42O13/c1-48-32-14-21(5-7-30(32)41)9-25-19-52-38(45)27(25)11-24-13-29(37(44)35(17-24)51-4)28-12-23(16-34(50-3)36(28)43)10-26-20-53-39(46)40(26,47)18-22-6-8-31(42)33(15-22)49-2/h5-8,12-17,25-27,41-44,47H,9-11,18-20H2,1-4H3/t25-,26+,27+,40+/m0/s1
InChIKey QVOFADSKRSKYTK-NDMYMGKYSA-N
Mol Weight 730.8 g/mol
Molecular Formula C40H42O13
Exact Mass 730.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdxTpAFBQmI
Name 5-(5'''-MATAIRESINOL)-NOR-TRACHELOGENIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O13
InChI InChI=1S/C40H42O13/c1-48-32-14-21(5-7-30(32)41)9-25-19-52-38(45)27(25)11-24-13-29(37(44)35(17-24)51-4)28-12-23(16-34(50-3)36(28)43)10-26-20-53-39(46)40(26,47)18-22-6-8-31(42)33(15-22)49-2/h5-8,12-17,25-27,41-44,47H,9-11,18-20H2,1-4H3/t25-,26+,27+,40+/m0/s1
InChIKey QVOFADSKRSKYTK-NDMYMGKYSA-N
Literature Reference Author G.C.WANG,Y.F.WANG,G.Q.LI,W.C.YE,Y.L.LI
Literature Reference Citation CHEM.PHARM.BULL.,60,920(2012)
Literature Reference DOI 10.1248/cpb.c12-00132
Molecular Weight 730.766 g/mol
Source File Reference UWBT4457