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

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5-(5''-MATAIRESINOL)-NOR-TRACHELOGENIN
SpectraBase Compound ID BLl8aztdlK2
InChI InChI=1S/C40H42O13/c1-48-32-14-21(5-7-30(32)41)11-27-25(19-52-38(27)45)9-23-12-28(36(43)34(16-23)50-3)29-13-24(17-35(51-4)37(29)44)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-/m1/s1
InChIKey TYFLPPHLGTZCQG-RFEIQAIXSA-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 BJVagy40maS
Name 5-(5''-MATAIRESINOL)-NOR-TRACHELOGENIN
Compound Number 3
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)11-27-25(19-52-38(27)45)9-23-12-28(36(43)34(16-23)50-3)29-13-24(17-35(51-4)37(29)44)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-/m1/s1
InChIKey TYFLPPHLGTZCQG-RFEIQAIXSA-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 UWBT4458