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ALPHA-ALECTORONIC_ACID
SpectraBase Compound ID GTkASqyiO9a
InChI InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34)
InChIKey ZDIOCINAHISORH-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C28H32O9
Exact Mass 512.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CNn0s3XPKf
Name ALPHA-ALECTORONIC_ACID
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32O9
InChI InChI=1S/C28H32O9/c1-3-5-7-9-17(29)11-16-12-19(31)14-22-24(16)28(35)37-23-15-21(32)25(27(33)34)20(26(23)36-22)13-18(30)10-8-6-4-2/h12,14-15,31-32H,3-11,13H2,1-2H3,(H,33,34)
InChIKey ZDIOCINAHISORH-UHFFFAOYSA-N
Literature Reference Author M.MILLOT,S.TOMASI,K.ARTICUS,I.ROUAUD,A.BERNARD,J.BOUSTIE
Literature Reference Citation J.NAT.PROD.,70,316(2007)
Literature Reference DOI 10.1021/np060561p
Molecular Weight 512.557 g/mol
Sample ID 29707
Solvent ACETONE-D6