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AVICENNONE_B;METHYL-2-[(E)-[4-ALPHA-HYDROXY-5-BETA-(1-HYDROXY-1-METHYLETHYL)-2-OXODIHYDROFURAN-3-(2-H)-YLIDENE]-(METHOXY)-METHYL]-BENZOATE
SpectraBase Compound ID ETzEZWQLqwp
InChI InChI=1S/C17H20O7/c1-17(2,21)14-12(18)11(16(20)24-14)13(22-3)9-7-5-6-8-10(9)15(19)23-4/h5-8,12,14,18,21H,1-4H3/b13-11+/t12-,14-/m0/s1
InChIKey NSSLCNKUPNAQRW-HLXCCUCLSA-N
Mol Weight 336.34 g/mol
Molecular Formula C17H20O7
Exact Mass 336.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CYgtt6BITf
Name AVICENNONE_B;METHYL-2-[(E)-[4-ALPHA-HYDROXY-5-BETA-(1-HYDROXY-1-METHYLETHYL)-2-OXODIHYDROFURAN-3-(2-H)-YLIDENE]-(METHOXY)-METHYL]-BENZOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O7
InChI InChI=1S/C17H20O7/c1-17(2,21)14-12(18)11(16(20)24-14)13(22-3)9-7-5-6-8-10(9)15(19)23-4/h5-8,12,14,18,21H,1-4H3/b13-11+/t12-,14-/m0/s1
InChIKey NSSLCNKUPNAQRW-HLXCCUCLSA-N
Literature Reference Author L.HAN,X.HUANG,H.M.DAHSE,U.MOELLMANN,H.FU,S.GRABLEY,I.SATTLER ,W.LIN
Literature Reference Citation J.NAT.PROD.,70,923(2007)
Literature Reference DOI 10.1021/np060587g
Molecular Weight 336.342 g/mol
Sample ID 30387
Solvent CD3OD