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(3R,5S)-3,5-DIACETOXY-1,7-(4-ACETOXY-3-METHOXYPHENYL)-HEPTANE
SpectraBase Compound ID 5j1d3U3UaOr
InChI InChI=1S/C29H36O10/c1-18(30)36-24(11-7-22-9-13-26(38-20(3)32)28(15-22)34-5)17-25(37-19(2)31)12-8-23-10-14-27(39-21(4)33)29(16-23)35-6/h9-10,13-16,24-25H,7-8,11-12,17H2,1-6H3/t24-,25-/m0/s1
InChIKey IIBQBDQZTJZJGR-DQEYMECFSA-N
Mol Weight 544.6 g/mol
Molecular Formula C29H36O10
Exact Mass 544.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFBs6y1t3GM
Name (3R,5S)-3,5-DIACETOXY-1,7-(4-ACETOXY-3-METHOXYPHENYL)-HEPTANE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O10
InChI InChI=1S/C29H36O10/c1-18(30)36-24(11-7-22-9-13-26(38-20(3)32)28(15-22)34-5)17-25(37-19(2)31)12-8-23-10-14-27(39-21(4)33)29(16-23)35-6/h9-10,13-16,24-25H,7-8,11-12,17H2,1-6H3/t24-,25-/m0/s1
InChIKey IIBQBDQZTJZJGR-DQEYMECFSA-N
Literature Reference Author H.KIKUZAKI,M.KOBAYASHI,N.NAKATANI
Literature Reference Citation PHYTOCHEM.,30,3647(1991)
Literature Reference DOI 10.1016/0031-9422(91)80085-F
Molecular Weight 544.599 g/mol
Solvent CDCl3
Source File Reference UWMS26593