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4'-CHLORO-STYPOTRIOL-TRIACETATE
SpectraBase Compound ID FTXpZjaimgz
InChI InChI=1S/C33H45ClO7/c1-17-10-11-24-31(8)14-13-25(38-19(3)35)30(6,7)23(31)12-15-32(24,9)33(17)16-22-27(41-33)18(2)26(34)29(40-21(5)37)28(22)39-20(4)36/h17,23-25H,10-16H2,1-9H3/t17-,23-,24+,25-,31-,32+,33-/m0/s1
InChIKey OHSXYLUZFINYQX-LLCFKABPSA-N
Mol Weight 589.2 g/mol
Molecular Formula C33H45ClO7
Exact Mass 588.285381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UPQaId49Wt
Name 4'-CHLORO-STYPOTRIOL-TRIACETATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45ClO7
InChI InChI=1S/C33H45ClO7/c1-17-10-11-24-31(8)14-13-25(38-19(3)35)30(6,7)23(31)12-15-32(24,9)33(17)16-22-27(41-33)18(2)26(34)29(40-21(5)37)28(22)39-20(4)36/h17,23-25H,10-16H2,1-9H3/t17-,23-,24+,25-,31-,32+,33-/m0/s1
InChIKey OHSXYLUZFINYQX-LLCFKABPSA-N
Literature Reference Author C.ARECHE,A.SAN-MARTIN,J.ROVIROSA,J.SOTO-DELGADO,R.CONTRERAS
Literature Reference Citation PHYTOCHEM.,70,1315(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.07.017
Molecular Weight 589.169 g/mol
Sample ID 45632
Solvent CDCl3