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2-PENTYL-5-METHOXY-7-HYDROXYMETHYL-8-CARBOXYLIC-ACID-CHROMAN-4-ONE
SpectraBase Compound ID 4LpxZQfvu18
InChI InChI=1S/C17H22O6/c1-3-4-5-6-11-8-12(19)15-13(22-2)7-10(9-18)14(17(20)21)16(15)23-11/h7,11,18H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKey RTOZYOPOZHRDMG-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6PwRf0Ug7E
Name 2-PENTYL-5-METHOXY-7-HYDROXYMETHYL-8-CARBOXYLIC-ACID-CHROMAN-4-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-3-4-5-6-11-8-12(19)15-13(22-2)7-10(9-18)14(17(20)21)16(15)23-11/h7,11,18H,3-6,8-9H2,1-2H3,(H,20,21)
InChIKey RTOZYOPOZHRDMG-UHFFFAOYSA-N
Literature Reference Author A.EVIDENTE,G.RANDAZZO,N.S.IACOBELLIS,A.BOTTALICO
Literature Reference Citation J.NAT.PROD.,48,916(1985)
Literature Reference DOI 10.1021/np50042a005
Molecular Weight 322.358 g/mol
Solvent CDCl3:CD3OD=2:1
Source File Reference UWCS3555